4-(4-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methoxyphenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-methoxyphenyl)-3-(4-pyrrolidinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H20N4O3S2/c1-26-16-8-6-15(7-9-16)23-18(20-21-19(23)27)14-4-10-17(11-5-14)28(24,25)22-12-2-3-13-22/h4-11H,2-3,12-13H2,1H3,(H,21,27)