2-[(4-nitrophenyl)methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[(4-nitrophenyl)methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(4-nitrophenyl)methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(4-nitrophenyl)methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(4-nitrophenyl)methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-(4-nitrobenzyl)-4-(2-thienyl)phthalazin-1-one Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C19H13N3O3S/c23-19-16-5-2-1-4-15(16)18(17-6-3-11-26-17)20-21(19)12-13-7-9-14(10-8-13)22(24)25/h1-11H,12H2