2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]-5-(1-methylsulfonyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-5-(1-methylsulfonyl-3-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-[2-keto-2-(4-methoxyphenyl)ethyl]-5-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C21H24N4O5S2/c1-30-17-9-7-15(8-10-17)18(26)14-24-21(27)25(19-6-4-12-31-19)20(22-24)16-5-3-11-23(13-16)32(2,28)29/h4,6-10,12,16H,3,5,11,13-14H2,1-2H3