Name: 2,5-Bis[(2-cyanoethyl)sulfanyl]-N-(4-nitrobenzoyl)-1,4-phenylenediamine

IUPAC: N-[4-amino-2,5-bis(2-cyanoethylsulfanyl)phenyl]-4-nitrobenzamide

SMILES: N#CCCSc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(SCCC#N)cc1N

Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=C(C=C(C(=C2)SCCC#N)N)SCCC#N)[N+](=O)[O-]

Summenformel: C19H17N5O3S2

Molare Masse: 427.50

InChIKey: ZNFJCQKZBJOVPH-UHFFFAOYSA-N

InChI:

InChI=1S/C19H17N5O3S2/c20-7-1-9-28-17-12-16(18(11-15(17)22)29-10-2-8-21)23-19(25)13-3-5-14(6-4-13)24(26)27/h3-6,11-12H,1-2,9-10,22H2,(H,23,25)

Synonyme

SCHEMBL3179959ZNFJCQKZBJOVPH-UHFFFAOYSA-N2,5-bis[(2-cyanoethyl)sulfanyl]-N-(4-nitrobenzoyl)-1,4-phenylenediamine