4-(4-chlorophenyl)-2-[5-(2-hydroxyethylsulfanyl)-2-nitro-phenyl]phthalazin-1-one

Systemtic Name: 4-(4-chlorophenyl)-2-[5-(2-hydroxyethylsulfanyl)-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[5-(2-hydroxyethylsulfanyl)-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[5-(2-hydroxyethylthio)-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[5-(2-hydroxyethylsulfanyl)-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[5-(2-hydroxyethylthio)-2-nitro-phenyl]phthalazin-1-one Formula: C22H16ClN3O4S MolecularWeight: 453.89814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O4S/c23-15-7-5-14(6-8-15)21-17-3-1-2-4-18(17)22(28)25(24-21)20-13-16(31-12-11-27)9-10-19(20)26(29)30/h1-10,13,27H,11-12H2