N-[5-(4-ethylsulfanylphthalazin-1-yl)-2-methyl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[5-(4-ethylsulfanylphthalazin-1-yl)-2-methyl-phenyl]-4-nitro-benzamide Openeye Name: N-[5-(4-ethylsulfanylphthalazin-1-yl)-2-methyl-phenyl]-4-nitro-benzamide CAS Name: N-[5-[4-(ethylthio)-1-phthalazinyl]-2-methylphenyl]-4-nitrobenzamide IUPAC Name: N-[5-(4-ethylsulfanylphthalazin-1-yl)-2-methylphenyl]-4-nitrobenzamide Traditional Name: N-[5-[4-(ethylthio)phthalazin-1-yl]-2-methyl-phenyl]-4-nitro-benzamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)C)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)C)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O3S/c1-3-32-24-20-7-5-4-6-19(20)22(26-27-24)17-9-8-15(2)21(14-17)25-23(29)16-10-12-18(13-11-16)28(30)31/h4-14H,3H2,1-2H3,(H,25,29)