4-oxidanylidene-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[[2-(3-thienyl)thiazol-4-yl]methyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[[2-(3-thienyl)thiazol-4-yl]methyl]phthalazine-1-carboxylic acid Formula: C17H11N3O3S2 MolecularWeight: 369.41754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CSC(=N3)C4=CSC=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CSC(=N3)C4=CSC=C4)C(=O)O

InChI

InChI=1S/C17H11N3O3S2/c21-16-13-4-2-1-3-12(13)14(17(22)23)19-20(16)7-11-9-25-15(18-11)10-5-6-24-8-10/h1-6,8-9H,7H2,(H,22,23)