N-(2-butan-2-ylphenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-sec-butylphenyl)propanamide CAS Name: N-(2-butan-2-ylphenyl)-2-[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]-N-(2-sec-butylphenyl)propionamide Formula: C24H35N5OS MolecularWeight: 441.6326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C3CC3)N4CCC(CC4)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C3CC3)N4CCC(CC4)C

InChI

InChI=1S/C24H35N5OS/c1-5-17(3)20-8-6-7-9-21(20)25-22(30)18(4)31-24-27-26-23(29(24)19-10-11-19)28-14-12-16(2)13-15-28/h6-9,16-19H,5,10-15H2,1-4H3,(H,25,30)