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

Systemtic Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylthio]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(4,5-dimethoxy-2-methyl-benzyl)thio]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H27N3O3S/c1-14(2)25-21(16-7-9-18(26-4)10-8-16)23-24-22(25)29-13-17-12-20(28-6)19(27-5)11-15(17)3/h7-12,14H,13H2,1-6H3