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

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

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3C)CC4=CC=C(C=C4)F)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3C)CC4=CC=C(C=C4)F)Cl

InChI

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