5-bromanyl-4,6-bis[(4-nitrophenyl)methylsulfanyl]pyrimidine

Systemtic Name: 5-bromanyl-4,6-bis[(4-nitrophenyl)methylsulfanyl]pyrimidine Openeye Name: 5-bromo-4,6-bis[(4-nitrophenyl)methylsulfanyl]pyrimidine CAS Name: 5-bromo-4,6-bis[(4-nitrophenyl)methylthio]pyrimidine IUPAC Name: 5-bromo-4,6-bis[(4-nitrophenyl)methylsulfanyl]pyrimidine Traditional Name: 5-bromo-4,6-bis[(4-nitrobenzyl)thio]pyrimidine Formula: C18H13BrN4O4S2 MolecularWeight: 493.35422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O4S2/c19-16-17(28-9-12-1-5-14(6-2-12)22(24)25)20-11-21-18(16)29-10-13-3-7-15(8-4-13)23(26)27/h1-8,11H,9-10H2