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

Systemtic Name: 5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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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)C4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O2S/c1-3-27-14-9-10-15-16(11-14)28-20(22-15)23-19(26)17-12(2)24-25(18(17)21)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,22,23,26)