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

Systemtic Name: 3-(4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: 3-(4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-(4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-(p-tolyl)propionitrile Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NN=CN2C

Isomeric SMILES

CC1=CC=C(C=C1)CC(C#N)SC2=NN=CN2C

InChI

InChI=1S/C13H14N4S/c1-10-3-5-11(6-4-10)7-12(8-14)18-13-16-15-9-17(13)2/h3-6,9,12H,7H2,1-2H3