4-(3-nitro-4-thiomorpholin-4-yl-phenyl)-2H-phthalazin-1-one

Systemtic Name: 4-(3-nitro-4-thiomorpholin-4-yl-phenyl)-2H-phthalazin-1-one Openeye Name: 4-(3-nitro-4-thiomorpholino-phenyl)-2H-phthalazin-1-one CAS Name: 4-(3-nitro-4-thiomorpholin-4-ylphenyl)-2H-phthalazin-1-one IUPAC Name: 4-(3-nitro-4-thiomorpholin-4-ylphenyl)-2H-phthalazin-1-one Traditional Name: 4-(3-nitro-4-thiomorpholino-phenyl)-2H-phthalazin-1-one Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CSCCN1C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c23-18-14-4-2-1-3-13(14)17(19-20-18)12-5-6-15(16(11-12)22(24)25)21-7-9-26-10-8-21/h1-6,11H,7-10H2,(H,20,23)