3-(3,4-dimethoxyphenyl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H19N3O2S/c1-21-17(14-9-10-15(22-2)16(11-14)23-3)19-20-18(21)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3