4-(4-methylphenyl)sulfanyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine

Systemtic Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-(4-isopropylphenoxy)-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-[(4-methylphenyl)thio]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-(4-isopropylphenoxy)-5-nitro-6-(p-tolylthio)pyrimidine Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])OC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])OC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H19N3O3S/c1-13(2)15-6-8-16(9-7-15)26-19-18(23(24)25)20(22-12-21-19)27-17-10-4-14(3)5-11-17/h4-13H,1-3H3