N-(5-chloranyl-2-methyl-phenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C17H12Cl2N4O2S MolecularWeight: 407.27378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12Cl2N4O2S/c1-10-2-3-12(19)8-14(10)22-16-15(23(24)25)17(21-9-20-16)26-13-6-4-11(18)5-7-13/h2-9H,1H3,(H,20,21,22)