4-(4-chloranyl-3-methyl-phenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(4-chloro-3-methylphenoxy)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-5-nitro-6-(phenylthio)pyrimidine Formula: C17H12ClN3O3S MolecularWeight: 373.81348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O3S/c1-11-9-12(7-8-14(11)18)24-16-15(21(22)23)17(20-10-19-16)25-13-5-3-2-4-6-13/h2-10H,1H3