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

Systemtic Name: 4-(4-ethylphenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(4-ethylphenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-(4-ethylphenoxy)-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(4-ethylphenoxy)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(4-ethylphenoxy)-5-nitro-6-(phenylthio)pyrimidine Formula: C18H15N3O3S MolecularWeight: 353.395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O3S/c1-2-13-8-10-14(11-9-13)24-17-16(21(22)23)18(20-12-19-17)25-15-6-4-3-5-7-15/h3-12H,2H2,1H3