1-[4-[[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C19H16N4O3S/c1-12-3-9-16(10-4-12)27-19-17(23(25)26)18(20-11-21-19)22-15-7-5-14(6-8-15)13(2)24/h3-11H,1-2H3,(H,20,21,22)