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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,4-dimethoxyphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,4-dimethoxyphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,4-dimethoxyphenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Formula: C23H37N3O2S MolecularWeight: 419.62378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H37N3O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-24-25-23(29)26(22)19-16-17-20(27-2)21(18-19)28-3/h16-18H,4-15H2,1-3H3,(H,25,29)