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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 5-nitro-4-phenylsulfanyl-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-[(4-methylphenyl)thio]-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 5-nitro-4-(phenylthio)-6-(p-tolylthio)pyrimidine Formula: C17H13N3O2S2 MolecularWeight: 355.43402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C17H13N3O2S2/c1-12-7-9-14(10-8-12)24-17-15(20(21)22)16(18-11-19-17)23-13-5-3-2-4-6-13/h2-11H,1H3