2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC#N)C2=CC(=CC=C2)C

Isomeric SMILES

CCN1C(=NN=C1SCC#N)C2=CC(=CC=C2)C

InChI

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