2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-phenyl-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CCCC(CCC1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4OS/c30-24-20(17-26-19-13-7-2-1-3-8-14-19)23(18-11-5-4-6-12-18)28-29(24)25-27-21-15-9-10-16-22(21)31-25/h4-6,9-12,15-17,19,26H,1-3,7-8,13-14H2