6-(4-chlorophenyl)sulfanyl-N-(2-ethylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-(2-ethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-(2-ethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-(2-ethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O2S/c1-2-12-5-3-4-6-15(12)22-17-16(23(24)25)18(21-11-20-17)26-14-9-7-13(19)8-10-14/h3-11H,2H2,1H3,(H,20,21,22)