3-chloranyl-N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)benzothiophene-2-carboxamide Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C16H16ClN3OS/c1-4-20-10(3)14(9(2)19-20)18-16(21)15-13(17)11-7-5-6-8-12(11)22-15/h5-8H,4H2,1-3H3,(H,18,21)