3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-(methylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-(methylthio)-4-phenyl-1,2,4-triazole Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-21-14-10-9-12(11-15(14)22-2)16-18-19-17(23-3)20(16)13-7-5-4-6-8-13/h4-11H,1-3H3