1,3-benzodioxol-5-yl-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]methanone Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15N3O5S/c22-17(13-4-5-15-16(9-13)26-11-25-15)20-7-6-19-18(20)27-10-12-2-1-3-14(8-12)21(23)24/h1-5,8-9H,6-7,10-11H2