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

Systemtic Name: 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCC#N

InChI

InChI=1S/C13H14N4S/c1-10-4-6-11(7-5-10)12-15-16-13(17(12)2)18-9-3-8-14/h4-7H,3,9H2,1-2H3