N-(3-chlorophenyl)-2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-(3-chlorophenyl)-2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-(3-chlorophenyl)-2-(4-isopentyl-3,5-dimethyl-pyrazol-1-yl)-4-methyl-thiazole-5-carboxamide CAS Name: N-(3-chlorophenyl)-2-[3,5-dimethyl-4-(3-methylbutyl)-1-pyrazolyl]-4-methyl-5-thiazolecarboxamide IUPAC Name: N-(3-chlorophenyl)-2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-(3-chlorophenyl)-2-(4-isoamyl-3,5-dimethyl-pyrazol-1-yl)-4-methyl-thiazole-5-carboxamide Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C(=C(C(=N2)C)CCC(C)C)C)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(SC(=N1)N2C(=C(C(=N2)C)CCC(C)C)C)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4OS/c1-12(2)9-10-18-13(3)25-26(15(18)5)21-23-14(4)19(28-21)20(27)24-17-8-6-7-16(22)11-17/h6-8,11-12H,9-10H2,1-5H3,(H,24,27)