N-(3-methylbutyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: N-isopentyl-5-isopropyl-1-[4-(p-tolyl)thiazol-2-yl]pyrazole-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[4-(4-methylphenyl)-2-thiazolyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(3-methylbutyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: N-isoamyl-5-isopropyl-1-[4-(p-tolyl)thiazol-2-yl]pyrazole-4-carboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C=N3)C(=O)NCCC(C)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C=N3)C(=O)NCCC(C)C)C(C)C

InChI

InChI=1S/C22H28N4OS/c1-14(2)10-11-23-21(27)18-12-24-26(20(18)15(3)4)22-25-19(13-28-22)17-8-6-16(5)7-9-17/h6-9,12-15H,10-11H2,1-5H3,(H,23,27)