2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(2-methoxy-5-nitrophenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(2-methoxy-5-nitro-benzyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=CC=CC=C2C3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=CC=CC=C2C3=NCCCN3

InChI

InChI=1S/C18H19N3O3S/c1-24-16-8-7-14(21(22)23)11-13(16)12-25-17-6-3-2-5-15(17)18-19-9-4-10-20-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,20)