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

Systemtic Name: N-butyl-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-butyl-2-[3,5-dimethyl-4-(p-tolylmethyl)pyrazol-1-yl]-4-methyl-thiazole-5-carboxamide CAS Name: N-butyl-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]-1-pyrazolyl]-4-methyl-5-thiazolecarboxamide IUPAC Name: N-butyl-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-butyl-2-[3,5-dimethyl-4-(4-methylbenzyl)pyrazol-1-yl]-4-methyl-thiazole-5-carboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N=C(S1)N2C(=C(C(=N2)C)CC3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCCCNC(=O)C1=C(N=C(S1)N2C(=C(C(=N2)C)CC3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C22H28N4OS/c1-6-7-12-23-21(27)20-16(4)24-22(28-20)26-17(5)19(15(3)25-26)13-18-10-8-14(2)9-11-18/h8-11H,6-7,12-13H2,1-5H3,(H,23,27)