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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-phenoxyphenyl)-3-veratryl-1H-1,2,4-triazole-5-thione Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NNC(=S)N2C3=CC=C(C=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NNC(=S)N2C3=CC=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C23H21N3O3S/c1-27-20-13-8-16(14-21(20)28-2)15-22-24-25-23(30)26(22)17-9-11-19(12-10-17)29-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,30)