2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C13H15N5S MolecularWeight: 273.3567

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#N)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CN1C(=NN=C1SCC#N)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C13H15N5S/c1-17(2)11-6-4-10(5-7-11)12-15-16-13(18(12)3)19-9-8-14/h4-7H,9H2,1-3H3