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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(3-methoxypropyl)-C-methyl-carbonimidoyl]-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(3-methoxypropyl)-C-methyl-carbonimidoyl]-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(3-methoxypropylimino)ethyl]-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(3-methoxypropyl)-C-methylcarbonimidoyl]-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(3-methoxypropyl)-C-methyl-carbonimidoyl]-5-phenyl-2-pyrazolin-3-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-15(23-13-8-14-28-2)19-20(16-9-4-3-5-10-16)25-26(21(19)27)22-24-17-11-6-7-12-18(17)29-22/h3-7,9-12,19H,8,13-14H2,1-2H3