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

Systemtic Name: N-(4-ethylphenyl)-2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]acetamide CAS Name: N-(4-ethylphenyl)-2-[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[5-keto-3-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]acetamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C22H27N5O4S2/c1-3-16-8-10-18(11-9-16)23-19(28)15-26-22(29)27(20-7-5-13-32-20)21(24-26)17-6-4-12-25(14-17)33(2,30)31/h5,7-11,13,17H,3-4,6,12,14-15H2,1-2H3,(H,23,28)