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

Systemtic Name: 4-(2-methoxyphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-methoxyphenyl)-3-[4-(1-piperidylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methoxyphenyl)-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methoxyphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-methoxyphenyl)-3-(4-piperidinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H22N4O3S2/c1-27-18-8-4-3-7-17(18)24-19(21-22-20(24)28)15-9-11-16(12-10-15)29(25,26)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,28)