(Z)-2-azanyl-3-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methylideneamino]but-2-enedinitrile

Systemtic Name: (Z)-2-azanyl-3-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methylideneamino]but-2-enedinitrile Openeye Name: (Z)-2-amino-3-[[5-nitro-2-(p-tolylsulfanyl)phenyl]methyleneamino]but-2-enedinitrile CAS Name: (Z)-2-amino-3-[[2-[(4-methylphenyl)thio]-5-nitrophenyl]methylideneamino]-2-butenedinitrile IUPAC Name: (Z)-2-amino-3-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylideneamino]but-2-enedinitrile Traditional Name: (Z)-2-amino-3-[[5-nitro-2-(p-tolylthio)benzylidene]amino]but-2-enedinitrile Formula: C18H13N5O2S MolecularWeight: 363.39312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NC(=C(C#N)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=N/C(=C(/C#N)\N)/C#N

InChI

InChI=1S/C18H13N5O2S/c1-12-2-5-15(6-3-12)26-18-7-4-14(23(24)25)8-13(18)11-22-17(10-20)16(21)9-19/h2-8,11H,21H2,1H3/b17-16-,22-11?