N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(E)-(3-methyl-2-thienyl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(E)-(3-methyl-2-thiophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-(3-methyl-2-thienyl)methyleneamino]-3H-phthalazine-1-carboxamide Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(SC=C1)/C=N/NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H12N4O2S/c1-9-6-7-22-12(9)8-16-18-15(21)13-10-4-2-3-5-11(10)14(20)19-17-13/h2-8H,1H3,(H,18,21)(H,19,20)/b16-8+