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

Systemtic Name: 3-cyclopropyl-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(2-methoxy-5-methylphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-[(2-methoxy-5-methyl-benzyl)thio]-1,2,4-triazole Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H23N3OS/c1-15-8-11-19(25-2)18(12-15)14-26-21-23-22-20(17-9-10-17)24(21)13-16-6-4-3-5-7-16/h3-8,11-12,17H,9-10,13-14H2,1-2H3