3-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-6-methyl-benzothiophene-2-carboxamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-12-9-10-15-16(11-12)28-19(17(15)22)20(26)23-18-13(2)24(3)25(21(18)27)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,23,26)