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

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C12H12N4S MolecularWeight: 244.31548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC#N

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC#N

InChI

InChI=1S/C12H12N4S/c1-10-14-15-12(17-8-7-13)16(10)9-11-5-3-2-4-6-11/h2-6H,8-9H2,1H3