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

Systemtic Name: 2-[(3,4-dichlorophenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[(3,4-dichlorophenyl)methyl]-5-(1-methylsulfonyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[(3,4-dichlorophenyl)methyl]-5-(1-methylsulfonyl-3-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-(3,4-dichlorobenzyl)-5-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C19H20Cl2N4O3S2 MolecularWeight: 487.4231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N4O3S2/c1-30(27,28)23-8-2-4-14(12-23)18-22-24(11-13-6-7-15(20)16(21)10-13)19(26)25(18)17-5-3-9-29-17/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3