5-nitro-4-phenoxy-6-phenylsulfanyl-pyrimidine

Systemtic Name: 5-nitro-4-phenoxy-6-phenylsulfanyl-pyrimidine Openeye Name: 5-nitro-4-phenoxy-6-phenylsulfanyl-pyrimidine CAS Name: 5-nitro-4-phenoxy-6-(phenylthio)pyrimidine IUPAC Name: 5-nitro-4-phenoxy-6-phenylsulfanylpyrimidine Traditional Name: 5-nitro-4-phenoxy-6-(phenylthio)pyrimidine Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O3S/c20-19(21)14-15(22-12-7-3-1-4-8-12)17-11-18-16(14)23-13-9-5-2-6-10-13/h1-11H