3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCCC#N

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCCC#N

InChI

InChI=1S/C12H12N4S/c1-10-5-2-3-6-11(10)16-9-14-15-12(16)17-8-4-7-13/h2-3,5-6,9H,4,8H2,1H3