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

Systemtic Name: 4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCCCC#N

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCCCC#N

InChI

InChI=1S/C14H16N4S/c1-11-7-3-4-8-12(11)13-16-17-14(18(13)2)19-10-6-5-9-15/h3-4,7-8H,5-6,10H2,1-2H3