2-[2-[(3-nitrophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(3-nitrophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(3-nitrophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(3-nitrophenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(3-nitrophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(3-nitrobenzyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC=CC=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNC(=NC1)C2=CC=CC=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O2S/c21-20(22)14-6-3-5-13(11-14)12-23-16-8-2-1-7-15(16)17-18-9-4-10-19-17/h1-3,5-8,11H,4,9-10,12H2,(H,18,19)