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

Systemtic Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-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-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-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-(pyrrolidinomethyl)-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)CN4CCCC4

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

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