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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(3-oxidanylpropyl)carbonimidoyl]-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(3-hydroxypropyl)-C-methyl-carbonimidoyl]-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(3-hydroxypropylimino)ethyl]-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(3-hydroxypropyl)-C-methyl-carbonimidoyl]-5-phenyl-2-pyrazolin-3-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-14(22-12-7-13-26)18-19(15-8-3-2-4-9-15)24-25(20(18)27)21-23-16-10-5-6-11-17(16)28-21/h2-6,8-11,18,26H,7,12-13H2,1H3