N-(3-methylphenyl)-2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]ethanamide Openeye Name: 2-[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(3-methylphenyl)-2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[5-keto-3-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]-N-(m-tolyl)acetamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C21H25N5O4S2/c1-15-6-3-8-17(12-15)22-18(27)14-25-21(28)26(19-9-5-11-31-19)20(23-25)16-7-4-10-24(13-16)32(2,29)30/h3,5-6,8-9,11-12,16H,4,7,10,13-14H2,1-2H3,(H,22,27)