2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-5-(1-methylsulfonyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]-5-(1-methylsulfonyl-4-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-[2-(4-chlorophenyl)-2-keto-ethyl]-5-(1-mesyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2=NN(C(=O)N2C3=CC=CS3)CC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2=NN(C(=O)N2C3=CC=CS3)CC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4O4S2/c1-31(28,29)23-10-8-15(9-11-23)19-22-24(20(27)25(19)18-3-2-12-30-18)13-17(26)14-4-6-16(21)7-5-14/h2-7,12,15H,8-11,13H2,1H3