4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-[(4-methylphenyl)thio]-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-6-(p-tolylthio)pyrimidine Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])OC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])OC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C19H16ClN3O3S/c1-11-4-6-15(7-5-11)27-19-17(23(24)25)18(21-10-22-19)26-14-8-12(2)16(20)13(3)9-14/h4-10H,1-3H3