4-(4-methylphenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine

Systemtic Name: 4-(4-methylphenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(4-methylphenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-(4-methylphenoxy)-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(4-methylphenoxy)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(4-methylphenoxy)-5-nitro-6-(phenylthio)pyrimidine Formula: C17H13N3O3S MolecularWeight: 339.36842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3S/c1-12-7-9-13(10-8-12)23-16-15(20(21)22)17(19-11-18-16)24-14-5-3-2-4-6-14/h2-11H,1H3