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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)N(C)C)SCC#N

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)N(C)C)SCC#N

InChI

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