3-chloranyl-N-[(E)-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(E)-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(E)-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzothiophene-2-carboxamide Formula: C26H19ClN4OS MolecularWeight: 470.97326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=NNC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=N/NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H19ClN4OS/c1-17-8-7-9-18(14-17)24-19(16-31(30-24)20-10-3-2-4-11-20)15-28-29-26(32)25-23(27)21-12-5-6-13-22(21)33-25/h2-16H,1H3,(H,29,32)/b28-15+