4-(3,5-dimethoxyphenyl)-3-(quinolin-8-yloxymethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3,5-dimethoxyphenyl)-3-(quinolin-8-yloxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,5-dimethoxyphenyl)-3-(8-quinolyloxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,5-dimethoxyphenyl)-3-(8-quinolinyloxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,5-dimethoxyphenyl)-3-(quinolin-8-yloxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,5-dimethoxyphenyl)-3-(8-quinolyloxymethyl)-1H-1,2,4-triazole-5-thione Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=NNC2=S)COC3=CC=CC4=C3N=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=NNC2=S)COC3=CC=CC4=C3N=CC=C4)OC

InChI

InChI=1S/C20H18N4O3S/c1-25-15-9-14(10-16(11-15)26-2)24-18(22-23-20(24)28)12-27-17-7-3-5-13-6-4-8-21-19(13)17/h3-11H,12H2,1-2H3,(H,23,28)