5-cyclopropyl-3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole

Systemtic Name: 5-cyclopropyl-3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-phenyl-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1-phenyl-1,2,4-triazole Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C21H23N3O2S/c1-14-11-18(25-2)19(26-3)12-16(14)13-27-21-22-20(15-9-10-15)24(23-21)17-7-5-4-6-8-17/h4-8,11-12,15H,9-10,13H2,1-3H3