2-[2-(5-methyl-2-nitro-phenoxy)ethylsulfanyl]pyrimidine

Systemtic Name: 2-[2-(5-methyl-2-nitro-phenoxy)ethylsulfanyl]pyrimidine Openeye Name: 2-[2-(5-methyl-2-nitro-phenoxy)ethylsulfanyl]pyrimidine CAS Name: 2-[2-(5-methyl-2-nitrophenoxy)ethylthio]pyrimidine IUPAC Name: 2-[2-(5-methyl-2-nitrophenoxy)ethylsulfanyl]pyrimidine Traditional Name: 2-[2-(5-methyl-2-nitro-phenoxy)ethylthio]pyrimidine Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCSC2=NC=CC=N2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCSC2=NC=CC=N2

InChI

InChI=1S/C13H13N3O3S/c1-10-3-4-11(16(17)18)12(9-10)19-7-8-20-13-14-5-2-6-15-13/h2-6,9H,7-8H2,1H3