1-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: 1-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzo[e][1]benzothiole-2-carboxamide Openeye Name: 1-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzo[e]benzothiophene-2-carboxamide CAS Name: 1-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: 1-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzo[e][1]benzothiole-2-carboxamide Traditional Name: 1-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzo[e]benzothiophene-2-carboxamide Formula: C24H18ClN3O2S MolecularWeight: 447.93662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=CC5=CC=CC=C54)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C24H18ClN3O2S/c1-14-21(24(30)28(27(14)2)16-9-4-3-5-10-16)26-23(29)22-20(25)19-17-11-7-6-8-15(17)12-13-18(19)31-22/h3-13H,1-2H3,(H,26,29)