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

Systemtic Name: 3-(4-methoxyphenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-methoxyphenyl)-4-[4-(1-piperidylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-methoxyphenyl)-4-[4-(1-piperidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-methoxyphenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-methoxyphenyl)-4-(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=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H22N4O3S2/c1-27-17-9-5-15(6-10-17)19-21-22-20(28)24(19)16-7-11-18(12-8-16)29(25,26)23-13-3-2-4-14-23/h5-12H,2-4,13-14H2,1H3,(H,22,28)