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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N/C=C/2\C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4OS/c28-22-18(15-24-17-11-5-2-6-12-17)21(16-9-3-1-4-10-16)26-27(22)23-25-19-13-7-8-14-20(19)29-23/h1,3-4,7-10,13-15,17,24H,2,5-6,11-12H2/b18-15+