N-[4-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C18H14ClN5O3S MolecularWeight: 415.85346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O3S/c1-11(25)22-13-4-6-14(7-5-13)23-17-16(24(26)27)18(21-10-20-17)28-15-8-2-12(19)3-9-15/h2-10H,1H3,(H,22,25)(H,20,21,23)