4-oxidanylidene-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[[2-(2-thienyl)oxazol-4-yl]methyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(2-thiophen-2-yl-4-oxazolyl)methyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[[2-(2-thienyl)oxazol-4-yl]methyl]-3H-phthalazine-1-carboxamide Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C17H12N4O3S/c22-15-12-5-2-1-4-11(12)14(20-21-15)16(23)18-8-10-9-24-17(19-10)13-6-3-7-25-13/h1-7,9H,8H2,(H,18,23)(H,21,22)