2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=CC=C3C#N

InChI

InChI=1S/C17H14N4S/c1-13-6-2-5-9-16(13)21-12-19-20-17(21)22-11-15-8-4-3-7-14(15)10-18/h2-9,12H,11H2,1H3