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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14N4OS/c1-22-16-8-6-15(7-9-16)21-12-19-20-17(21)23-11-14-4-2-13(10-18)3-5-14/h2-9,12H,11H2,1H3