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

Systemtic Name: 2-[5-(4-chlorophenyl)sulfanyl-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-(4-chlorophenyl)sulfanyl-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[(4-chlorophenyl)thio]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-(4-chlorophenyl)sulfanyl-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-[(4-chlorophenyl)thio]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O3S/c1-13-17-4-2-3-5-18(17)21(26)24(23-13)20-12-16(10-11-19(20)25(27)28)29-15-8-6-14(22)7-9-15/h2-12H,1H3