3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-methylphenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-methyl-benzyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C17H17N3OS MolecularWeight: 311.40138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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