ethyl 3-[[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S/c1-3-28-20(25)14-5-4-6-15(11-14)23-18-17(24(26)27)19(22-12-21-18)29-16-9-7-13(2)8-10-16/h4-12H,3H2,1-2H3,(H,21,22,23)