(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-14-21(22(28)26(25(14)2)15-8-4-3-5-9-15)24-19(27)13-12-18-20(23)16-10-6-7-11-17(16)29-18/h3-13H,1-2H3,(H,24,27)/b13-12+