(4R)-2-(1,3-benzothiazol-2-yl)-4-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-5-phenyl-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-5-phenyl-4H-pyrazol-3-one Openeye Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-5-phenyl-4H-pyrazol-3-one CAS Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(1-imidazolyl)propylimino]ethyl]-5-phenyl-4H-pyrazol-3-one IUPAC Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-5-phenyl-4H-pyrazol-3-one Traditional Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-5-phenyl-2-pyrazolin-3-one Formula: C24H22N6OS MolecularWeight: 442.53608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCN1C=CN=C1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC(=NCCCN1C=CN=C1)[C@@H]2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C24H22N6OS/c1-17(26-12-7-14-29-15-13-25-16-29)21-22(18-8-3-2-4-9-18)28-30(23(21)31)24-27-19-10-5-6-11-20(19)32-24/h2-6,8-11,13,15-16,21H,7,12,14H2,1H3/t21-/m1/s1