2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methylene]propanedinitrile CAS Name: 2-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methylidene]propanedinitrile Traditional Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzylidene]malononitrile Formula: C13H8N6O2S MolecularWeight: 312.30662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H8N6O2S/c1-18-8-16-17-13(18)22-12-3-2-9(4-10(6-14)7-15)5-11(12)19(20)21/h2-5,8H,1H3