5-butyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-butyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: 5-butyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-butyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolecarboxamide IUPAC Name: 5-butyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: 5-butyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C22H26N8OS MolecularWeight: 450.55984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=NN1C2=NC=C(C(=N2)C3=CC=CS3)C)C(=O)NCC4=NN=C(N4C)C

Isomeric SMILES

CCCCC1=C(C=NN1C2=NC=C(C(=N2)C3=CC=CS3)C)C(=O)NCC4=NN=C(N4C)C

InChI

InChI=1S/C22H26N8OS/c1-5-6-8-17-16(21(31)23-13-19-28-27-15(3)29(19)4)12-25-30(17)22-24-11-14(2)20(26-22)18-9-7-10-32-18/h7,9-12H,5-6,8,13H2,1-4H3,(H,23,31)