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

Systemtic Name: 2-[(3-chlorophenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[(3-chlorophenyl)methyl]-5-(1-methylsulfonyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[(3-chlorophenyl)methyl]-5-(1-methylsulfonyl-3-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[(3-chlorophenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-(3-chlorobenzyl)-5-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C19H21ClN4O3S2 MolecularWeight: 452.97804

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H21ClN4O3S2/c1-29(26,27)22-9-3-6-15(13-22)18-21-23(12-14-5-2-7-16(20)11-14)19(25)24(18)17-8-4-10-28-17/h2,4-5,7-8,10-11,15H,3,6,9,12-13H2,1H3