5-nitro-4-phenylsulfanyl-6-(4-propan-2-ylphenoxy)pyrimidine

Systemtic Name: 5-nitro-4-phenylsulfanyl-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-(4-isopropylphenoxy)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 5-nitro-4-(phenylthio)-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 5-nitro-4-phenylsulfanyl-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-(4-isopropylphenoxy)-5-nitro-6-(phenylthio)pyrimidine Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S/c1-13(2)14-8-10-15(11-9-14)25-18-17(22(23)24)19(21-12-20-18)26-16-6-4-3-5-7-16/h3-13H,1-2H3