2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-oxidanylidene-1H-2-benzofuran-1-yl)-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-oxidanylidene-1H-2-benzofuran-1-yl)-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-oxo-1H-isobenzofuran-1-yl)-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-oxo-1H-isobenzofuran-1-yl)-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-phthalidyl-3-pyrazolin-3-one Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C19H13N3O3S/c1-10-15(16-11-6-2-3-7-12(11)18(24)25-16)17(23)22(21-10)19-20-13-8-4-5-9-14(13)26-19/h2-9,16,21H,1H3