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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)-C-methyl-carbonimidoyl]-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)-C-methyl-carbonimidoyl]-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylimino)ethyl]-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)-C-methyl-carbonimidoyl]-5-phenyl-2-pyrazolin-3-one Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCO)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC(=NCCO)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c1-13(21-11-12-25)17-18(14-7-3-2-4-8-14)23-24(19(17)26)20-22-15-9-5-6-10-16(15)27-20/h2-10,17,25H,11-12H2,1H3