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

Systemtic Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H14N4OS2 MolecularWeight: 342.43856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC#N)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC#N)C3=CC=CS3

InChI

InChI=1S/C16H14N4OS2/c1-11-5-6-13(21-2)12(10-11)20-15(14-4-3-8-22-14)18-19-16(20)23-9-7-17/h3-6,8,10H,9H2,1-2H3