2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: N-(2-isopropylpyrazol-3-yl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: N-(2-isopropylpyrazol-3-yl)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H27N7OS MolecularWeight: 425.55038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H27N7OS/c1-16(2)28-18(11-12-22-28)23-19(29)15-30-21-25-24-20(26-13-7-4-8-14-26)27(21)17-9-5-3-6-10-17/h3,5-6,9-12,16H,4,7-8,13-15H2,1-2H3,(H,23,29)