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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)OC)OC

InChI

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