4-(4-chlorophenyl)sulfanyl-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-6-(3,5-dimethylphenoxy)-5-nitropyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-6-(3,5-dimethylphenoxy)-5-nitropyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidine Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O3S/c1-11-7-12(2)9-14(8-11)25-17-16(22(23)24)18(21-10-20-17)26-15-5-3-13(19)4-6-15/h3-10H,1-2H3