4-oxidanylidene-3-(phenylmethyl)-N-[(E)-thiophen-2-ylmethylideneamino]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[(E)-thiophen-2-ylmethylideneamino]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[(E)-2-thienylmethyleneamino]phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(E)-2-thenylideneamino]phthalazine-1-carboxamide Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NN=CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N/N=C/C4=CC=CS4

InChI

InChI=1S/C21H16N4O2S/c26-20(23-22-13-16-9-6-12-28-16)19-17-10-4-5-11-18(17)21(27)25(24-19)14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,26)/b22-13+