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

Systemtic Name: 2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: N-(2-isopropylpyrazol-3-yl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: 2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: N-(2-isopropylpyrazol-3-yl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H31N7OS MolecularWeight: 453.60354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C23H31N7OS/c1-17(2)30-20(12-13-24-30)25-22(31)18(3)32-23-27-26-21(16-28-14-8-5-9-15-28)29(23)19-10-6-4-7-11-19/h4,6-7,10-13,17-18H,5,8-9,14-16H2,1-3H3,(H,25,31)