4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Openeye Name: 4-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide CAS Name: 4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-ethyl-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide Traditional Name: 4-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H17ClN4O2S/c1-2-26-12-15(18(25-26)20(27)23-13-8-4-3-5-9-13)24-21(28)19-17(22)14-10-6-7-11-16(14)29-19/h3-12H,2H2,1H3,(H,23,27)(H,24,28)