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

Systemtic Name: 5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorobenzyl)-3-methyl-pyrazole-4-carboxamide Formula: C21H18ClFN4O2S MolecularWeight: 444.909623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3C)CC4=CC=C(C=C4)F)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3C)CC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C21H18ClFN4O2S/c1-3-29-15-8-9-16-17(10-15)30-21(24-16)25-20(28)18-12(2)26-27(19(18)22)11-13-4-6-14(23)7-5-13/h4-10H,3,11H2,1-2H3,(H,24,25,28)