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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)-C-methyl-carbonimidoyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)-C-methyl-carbonimidoyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylimino)ethyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)-C-methyl-carbonimidoyl]-5-(4-methoxyphenyl)-2-pyrazolin-3-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-13(22-11-12-26)18-19(14-7-9-15(28-2)10-8-14)24-25(20(18)27)21-23-16-5-3-4-6-17(16)29-21/h3-10,18,26H,11-12H2,1-2H3