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1-(5-ethylthiophen-2-yl)-4-oxidanylidene-3H-phthalazine-6-carboxylic acid

1-(5-ethylthiophen-2-yl)-4-oxidanylidene-3H-phthalazine-6-carboxylic acid

Systemtic Name:1-(5-ethylthiophen-2-yl)-4-oxidanylidene-3H-phthalazine-6-carboxylic acid
Openeye Name:1-(5-ethyl-2-thienyl)-4-oxo-3H-phthalazine-6-carboxylic acid
CAS Name:1-(5-ethyl-2-thiophenyl)-4-oxo-3H-phthalazine-6-carboxylic acid
IUPAC Name:1-(5-ethylthiophen-2-yl)-4-oxo-3H-phthalazine-6-carboxylic acid
Traditional Name:1-(5-ethyl-2-thienyl)-4-keto-3H-phthalazine-6-carboxylic acid
Formula: C15H12N2O3S
MolecularWeight: 300.33238
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NNC(=O)C3=C2C=CC(=C3)C(=O)O


Isomeric SMILES

CCC1=CC=C(S1)C2=NNC(=O)C3=C2C=CC(=C3)C(=O)O


InChI

InChI=1S/C15H12N2O3S/c1-2-9-4-6-12(21-9)13-10-5-3-8(15(19)20)7-11(10)14(18)17-16-13/h3-7H,2H2,1H3,(H,17,18)(H,19,20)


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