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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4OS/c1-9-14-15-12(18-7-6-13)16(9)10-4-3-5-11(8-10)17-2/h3-5,8H,7H2,1-2H3