4-(4-bromanylphenoxy)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine

Systemtic Name: 4-(4-bromanylphenoxy)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine Openeye Name: 4-(4-bromophenoxy)-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-(4-bromophenoxy)-6-[(4-methylphenyl)thio]-5-nitropyrimidine IUPAC Name: 4-(4-bromophenoxy)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-(4-bromophenoxy)-5-nitro-6-(p-tolylthio)pyrimidine Formula: C17H12BrN3O3S MolecularWeight: 418.26448

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O3S/c1-11-2-8-14(9-3-11)25-17-15(21(22)23)16(19-10-20-17)24-13-6-4-12(18)5-7-13/h2-10H,1H3