4-[3-(3,4-dimethoxyphenyl)propyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[3-(3,4-dimethoxyphenyl)propyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[3-(3,4-dimethoxyphenyl)propyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[3-(3,4-dimethoxyphenyl)propyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[3-(3,4-dimethoxyphenyl)propyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[3-(3,4-dimethoxyphenyl)propyl]-3-p-phenetyl-1H-1,2,4-triazole-5-thione Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-4-27-17-10-8-16(9-11-17)20-22-23-21(28)24(20)13-5-6-15-7-12-18(25-2)19(14-15)26-3/h7-12,14H,4-6,13H2,1-3H3,(H,23,28)