5-(4-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-methoxyphenyl)-3-(m-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(4-methoxyphenyl)-3-[(3-methylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-methoxyphenyl)-3-[(3-methylbenzyl)thio]-1H-1,2,4-triazole Formula: C17H17N3OS MolecularWeight: 311.40138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H17N3OS/c1-12-4-3-5-13(10-12)11-22-17-18-16(19-20-17)14-6-8-15(21-2)9-7-14/h3-10H,11H2,1-2H3,(H,18,19,20)