2-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]propanedinitrile CAS Name: 2-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]propanedinitrile Traditional Name: 2-[3-nitro-4-(p-tolylthio)benzylidene]malononitrile Formula: C17H11N3O2S MolecularWeight: 321.35314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O2S/c1-12-2-5-15(6-3-12)23-17-7-4-13(8-14(10-18)11-19)9-16(17)20(21)22/h2-9H,1H3