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

Systemtic Name: 4-[3-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]benzenecarbonitrile Openeye Name: 4-[3-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]benzonitrile CAS Name: 4-[3-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-4-yl]benzonitrile IUPAC Name: 4-[3-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]benzonitrile Traditional Name: 4-[3-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-4-yl]benzonitrile Formula: C17H14N4OS MolecularWeight: 322.38426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)C#N)SC

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)C#N)SC

InChI

InChI=1S/C17H14N4OS/c1-22-15-5-3-4-13(10-15)16-19-20-17(23-2)21(16)14-8-6-12(11-18)7-9-14/h3-10H,1-2H3