2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=CC=C3OC

InChI

InChI=1S/C18H16N4OS/c1-22-17(15-9-5-6-10-16(15)23-2)20-21-18(22)24-12-14-8-4-3-7-13(14)11-19/h3-10H,12H2,1-2H3