5-(1-methylsulfonylpiperidin-3-yl)-2-(2-phenoxyethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one

Systemtic Name: 5-(1-methylsulfonylpiperidin-3-yl)-2-(2-phenoxyethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 5-(1-methylsulfonyl-3-piperidyl)-2-(2-phenoxyethyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 5-(1-methylsulfonyl-3-piperidinyl)-2-(2-phenoxyethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 5-(1-methylsulfonylpiperidin-3-yl)-2-(2-phenoxyethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 5-(1-mesyl-3-piperidyl)-2-(2-phenoxyethyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CCOC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CCOC4=CC=CC=C4

InChI

InChI=1S/C20H24N4O4S2/c1-30(26,27)22-11-5-7-16(15-22)19-21-23(12-13-28-17-8-3-2-4-9-17)20(25)24(19)18-10-6-14-29-18/h2-4,6,8-10,14,16H,5,7,11-13,15H2,1H3