(3S)-2-azanylidene-3-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methylideneamino]butanedinitrile

Systemtic Name: (3S)-2-azanylidene-3-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methylideneamino]butanedinitrile Openeye Name: (2S)-2-cyano-2-[[5-nitro-2-(p-tolylsulfanyl)phenyl]methyleneamino]acetimidoyl cyanide CAS Name: (3S)-2-imino-3-[[2-[(4-methylphenyl)thio]-5-nitrophenyl]methylideneamino]butanedinitrile IUPAC Name: (2S)-2-cyano-2-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylideneamino]ethanimidoyl cyanide Traditional Name: (3S)-2-imino-3-[[5-nitro-2-(p-tolylthio)benzylidene]amino]succinonitrile 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#N)C(=N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=N[C@H](C#N)C(=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/h2-8,11,17,21H,1H3/t17-/m1/s1