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

Systemtic Name: 1-[4-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H13ClN4O3S MolecularWeight: 400.83882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O3S/c1-11(24)12-2-6-14(7-3-12)22-17-16(23(25)26)18(21-10-20-17)27-15-8-4-13(19)5-9-15/h2-10H,1H3,(H,20,21,22)