N-(3-chloranyl-4-methyl-phenyl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-methyl-3-(1-methylsulfonyl-3-piperidyl)-5-oxo-1,2,4-triazol-1-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[4-methyl-3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[5-keto-3-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-1-yl]acetamide Formula: C18H24ClN5O4S MolecularWeight: 441.93226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C)Cl

InChI

InChI=1S/C18H24ClN5O4S/c1-12-6-7-14(9-15(12)19)20-16(25)11-24-18(26)22(2)17(21-24)13-5-4-8-23(10-13)29(3,27)28/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,20,25)