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

Systemtic Name: 1-(5-ethylthiophen-2-yl)-3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazine-6-carboxylic acid Openeye Name: 1-(5-ethyl-2-thienyl)-3-(2-imidazol-1-ylethyl)-4-oxo-phthalazine-6-carboxylic acid CAS Name: 1-(5-ethyl-2-thiophenyl)-3-[2-(1-imidazolyl)ethyl]-4-oxo-6-phthalazinecarboxylic acid IUPAC Name: 1-(5-ethylthiophen-2-yl)-3-(2-imidazol-1-ylethyl)-4-oxophthalazine-6-carboxylic acid Traditional Name: 1-(5-ethyl-2-thienyl)-3-(2-imidazol-1-ylethyl)-4-keto-phthalazine-6-carboxylic acid Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NN(C(=O)C3=C2C=CC(=C3)C(=O)O)CCN4C=CN=C4

Isomeric SMILES

CCC1=CC=C(S1)C2=NN(C(=O)C3=C2C=CC(=C3)C(=O)O)CCN4C=CN=C4

InChI

InChI=1S/C20H18N4O3S/c1-2-14-4-6-17(28-14)18-15-5-3-13(20(26)27)11-16(15)19(25)24(22-18)10-9-23-8-7-21-12-23/h3-8,11-12H,2,9-10H2,1H3,(H,26,27)