3-[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[2-furylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[2-furanylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[2-furfuryl(2-thenyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)N(CC3=CC=CO3)CC4=CC=CS4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)N(CC3=CC=CO3)CC4=CC=CS4)C(=O)N

InChI

InChI=1S/C21H18N4O4S/c22-20(27)19-16-7-1-2-8-17(16)21(28)25(23-19)13-18(26)24(11-14-5-3-9-29-14)12-15-6-4-10-30-15/h1-10H,11-13H2,(H2,22,27)