2-[3-(5-methyl-2-nitro-phenoxy)propylsulfanyl]pyrimidine

Systemtic Name: 2-[3-(5-methyl-2-nitro-phenoxy)propylsulfanyl]pyrimidine Openeye Name: 2-[3-(5-methyl-2-nitro-phenoxy)propylsulfanyl]pyrimidine CAS Name: 2-[3-(5-methyl-2-nitrophenoxy)propylthio]pyrimidine IUPAC Name: 2-[3-(5-methyl-2-nitrophenoxy)propylsulfanyl]pyrimidine Traditional Name: 2-[3-(5-methyl-2-nitro-phenoxy)propylthio]pyrimidine Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCSC2=NC=CC=N2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCSC2=NC=CC=N2

InChI

InChI=1S/C14H15N3O3S/c1-11-4-5-12(17(18)19)13(10-11)20-8-3-9-21-14-15-6-2-7-16-14/h2,4-7,10H,3,8-9H2,1H3