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

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-(4-sec-butylphenyl)acetamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C22H31N5OS/c1-3-16(2)17-7-9-18(10-8-17)23-20(28)15-29-22-25-24-21(27(22)19-11-12-19)26-13-5-4-6-14-26/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,23,28)