4-[2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile CAS Name: 4-[2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]benzonitrile Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C19H16N4OS/c1-13-5-3-4-6-17(13)23-14(2)21-22-19(23)25-12-18(24)16-9-7-15(11-20)8-10-16/h3-10H,12H2,1-2H3