3-chloranyl-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methyleneamino]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(E)-(1,3-diphenyl-4-pyrazolyl)methylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methyleneamino]benzothiophene-2-carboxamide Formula: C25H17ClN4OS MolecularWeight: 456.94668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17ClN4OS/c26-22-20-13-7-8-14-21(20)32-24(22)25(31)28-27-15-18-16-30(19-11-5-2-6-12-19)29-23(18)17-9-3-1-4-10-17/h1-16H,(H,28,31)/b27-15+