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

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylamide Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H18ClN3OS/c1-14-22(15(2)26(25-14)16-8-4-3-5-9-16)24-20(27)13-12-19-21(23)17-10-6-7-11-18(17)28-19/h3-13H,1-2H3,(H,24,27)/b13-12+