(4S)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one Openeye Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(4-pyridylmethyliminomethyl)-4H-pyrazol-3-one CAS Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one Traditional Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(4-pyridylmethyliminomethyl)-2-pyrazolin-3-one Formula: C23H17N5OS MolecularWeight: 411.47898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2C=NCC3=CC=NC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)[C@H]2C=NCC3=CC=NC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H17N5OS/c29-22-18(15-25-14-16-10-12-24-13-11-16)21(17-6-2-1-3-7-17)27-28(22)23-26-19-8-4-5-9-20(19)30-23/h1-13,15,18H,14H2/t18-/m0/s1