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

Systemtic Name: 4-(phenylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-[4-(1-piperidylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(phenylmethyl)-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(4-piperidinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S2/c25-28(26,23-13-5-2-6-14-23)18-11-9-17(10-12-18)19-21-22-20(27)24(19)15-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-15H2,(H,22,27)