(4R)-2-(1,3-benzothiazol-2-yl)-4-(3-oxidanylpropyliminomethyl)-5-phenyl-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-(3-oxidanylpropyliminomethyl)-5-phenyl-4H-pyrazol-3-one Openeye Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-(3-hydroxypropyliminomethyl)-5-phenyl-4H-pyrazol-3-one CAS Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-(3-hydroxypropyliminomethyl)-5-phenyl-4H-pyrazol-3-one IUPAC Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-(3-hydroxypropyliminomethyl)-5-phenyl-4H-pyrazol-3-one Traditional Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-(3-hydroxypropyliminomethyl)-5-phenyl-2-pyrazolin-3-one Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2C=NCCCO)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)[C@@H]2C=NCCCO)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O2S/c25-12-6-11-21-13-15-18(14-7-2-1-3-8-14)23-24(19(15)26)20-22-16-9-4-5-10-17(16)27-20/h1-5,7-10,13,15,25H,6,11-12H2/t15-/m1/s1