2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]-N-(3-iodophenyl)acetamide Formula: C19H24IN5OS MolecularWeight: 497.39623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C19H24IN5OS/c1-13-7-9-24(10-8-13)18-22-23-19(25(18)16-5-6-16)27-12-17(26)21-15-4-2-3-14(20)11-15/h2-4,11,13,16H,5-10,12H2,1H3,(H,21,26)