4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-1-benzofuran-2-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-1-benzofuran-2-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylbenzofuran-2-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-benzofuranyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-1-benzofuran-2-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-homoveratryl-3-(3-methylbenzofuran-2-yl)-1H-1,2,4-triazole-5-thione Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NNC(=S)N3CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NNC(=S)N3CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H21N3O3S/c1-13-15-6-4-5-7-16(15)27-19(13)20-22-23-21(28)24(20)11-10-14-8-9-17(25-2)18(12-14)26-3/h4-9,12H,10-11H2,1-3H3,(H,23,28)