5-chloranyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorobenzyl)-3-methyl-pyrazole-4-carboxamide Formula: C21H18ClFN4OS MolecularWeight: 428.910223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(N(N=C3C)CC4=CC=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(N(N=C3C)CC4=CC=C(C=C4)F)Cl)C

InChI

InChI=1S/C21H18ClFN4OS/c1-11-8-12(2)18-16(9-11)29-21(24-18)25-20(28)17-13(3)26-27(19(17)22)10-14-4-6-15(23)7-5-14/h4-9H,10H2,1-3H3,(H,24,25,28)