3-(3,4-dimethoxyphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3,4-dimethoxyphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(3,4-dimethoxyphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,4-dimethoxyphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C22H19N3O3S/c1-26-19-13-8-15(14-20(19)27-2)21-23-24-22(29)25(21)16-9-11-18(12-10-16)28-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,24,29)