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

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-iodanylphenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-iodophenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-iodophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-iodophenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-(2-iodophenyl)acetamide Formula: C18H22IN5OS MolecularWeight: 483.36965

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=CC=C4I

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=CC=C4I

InChI

InChI=1S/C18H22IN5OS/c19-14-6-2-3-7-15(14)20-16(25)12-26-18-22-21-17(24(18)13-8-9-13)23-10-4-1-5-11-23/h2-3,6-7,13H,1,4-5,8-12H2,(H,20,25)