N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxamide Formula: C23H23ClN4OS MolecularWeight: 438.97292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)Cl)CC(C)C

InChI

InChI=1S/C23H23ClN4OS/c1-14(2)13-28-22(24)21(15(3)27-28)23(29)25-17-10-8-16(9-11-17)12-20-26-18-6-4-5-7-19(18)30-20/h4-11,14H,12-13H2,1-3H3,(H,25,29)