2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-nitrophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-nitrophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O2S/c1-12-2-6-14(7-3-12)21-16(19-20-17(21)25-11-10-18)13-4-8-15(9-5-13)22(23)24/h2-9H,11H2,1H3