C1CC(C2=C(C1)C=C(C=C2)C#N)C3=CC=NS3
Name: 5-(1,2-thiazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILES: C1CC(C2=C(C1)C=C(C=C2)C#N)C3=CC=NS3

Molecular Processing

Molecular formula
C14H12N2S
Molecular weight
240.33
Exact mass
240.0721
XLogP
3.48
TPSA
36.68
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
68.05

Supplementary Information

InChIKey: PMXQQMGTLWBTGX-UHFFFAOYSA-N
Synonyme
SCHEMBL8746265PMXQQMGTLWBTGX-UHFFFAOYSA-N6-Cyano-1-(5-isothiazolyl)-1,2,3,4-tetrahydronaphthalene
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