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

Systemtic Name: 5-(1-methylsulfonylpiperidin-4-yl)-2-(2-phenoxyethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 5-(1-methylsulfonyl-4-piperidyl)-2-(2-phenoxyethyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 5-(1-methylsulfonyl-4-piperidinyl)-2-(2-phenoxyethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 5-(1-methylsulfonylpiperidin-4-yl)-2-(2-phenoxyethyl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 5-(1-mesyl-4-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)N1CCC(CC1)C2=NN(C(=O)N2C3=CC=CS3)CCOC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2=NN(C(=O)N2C3=CC=CS3)CCOC4=CC=CC=C4

InChI

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