(Z)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (Z)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-(4-nitrophenyl)acrylonitrile Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC(=CC#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1S/C(=C\C#N)/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S/c1-16-8-14-15-12(16)20-11(6-7-13)9-2-4-10(5-3-9)17(18)19/h2-6,8H,1H3/b11-6-