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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-methoxyethyl)-C-methyl-carbonimidoyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-methoxyethyl)-C-methyl-carbonimidoyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylimino)ethyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-methoxyethyl)-C-methylcarbonimidoyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-methoxyethyl)-C-methyl-carbonimidoyl]-5-(4-methoxyphenyl)-2-pyrazolin-3-one Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCOC)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=NCCOC)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N4O3S/c1-14(23-12-13-28-2)19-20(15-8-10-16(29-3)11-9-15)25-26(21(19)27)22-24-17-6-4-5-7-18(17)30-22/h4-11,19H,12-13H2,1-3H3