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

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-6-(phenylthio)pyrimidine Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

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