4,6-bis[(4-methylphenyl)sulfanyl]-5-nitro-pyrimidine

Systemtic Name: 4,6-bis[(4-methylphenyl)sulfanyl]-5-nitro-pyrimidine Openeye Name: 5-nitro-4,6-bis(p-tolylsulfanyl)pyrimidine CAS Name: 4,6-bis[(4-methylphenyl)thio]-5-nitropyrimidine IUPAC Name: 4,6-bis[(4-methylphenyl)sulfanyl]-5-nitropyrimidine Traditional Name: 5-nitro-4,6-bis(p-tolylthio)pyrimidine Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O2S2/c1-12-3-7-14(8-4-12)24-17-16(21(22)23)18(20-11-19-17)25-15-9-5-13(2)6-10-15/h3-11H,1-2H3