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

Systemtic Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-phenyl-methanone Openeye Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-phenyl-methanone CAS Name: [2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-phenylmethanone IUPAC Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-phenylmethanone Traditional Name: [2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]-phenyl-methanone Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c21-16(14-6-2-1-3-7-14)19-10-9-18-17(19)24-12-13-5-4-8-15(11-13)20(22)23/h1-8,11H,9-10,12H2