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

Systemtic Name: 2-[(3-chlorophenyl)methyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[(3-chlorophenyl)methyl]-5-(1-methylsulfonyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[(3-chlorophenyl)methyl]-5-(1-methylsulfonyl-4-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[(3-chlorophenyl)methyl]-5-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-(3-chlorobenzyl)-5-(1-mesyl-4-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)N1CCC(CC1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC(=CC=C4)Cl

InChI

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