C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=NC(=N4)SCCOC5=NC=CC(=C5)C#N
الاسم: 2-[2-[(1-trityl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]pyridine-4-carbonitrile
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=NC(=N4)SCCOC5=NC=CC(=C5)C#N

Molecular Processing

Molecular formula
C29H23N5OS
Molecular weight
489.6
Exact mass
489.1623
XLogP
5.56
TPSA
76.62
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.103
Molar refractivity
139.8

Supplementary Information

InChIKey: VXLUMTMOGDHBDV-UHFFFAOYSA-N
مرادفات
SCHEMBL688562VXLUMTMOGDHBDV-UHFFFAOYSA-N2-[(2-{[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]thio}ethyl)oxy]pyridine-4-carbonitrile
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