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

Systemtic Name: 3-cyclopropyl-5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1,2,4-triazole Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)OC)OC

InChI

InChI=1S/C22H25N3O2S/c1-15-11-19(26-2)20(27-3)12-18(15)14-28-22-24-23-21(17-9-10-17)25(22)13-16-7-5-4-6-8-16/h4-8,11-12,17H,9-10,13-14H2,1-3H3