[4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-3-nitrophenyl]-phenylmethanone Traditional Name: [4-(2-imidazolin-1-ium-2-ylthio)-3-nitro-phenyl]-phenyl-methanone Formula: C16H14N3O3S+ MolecularWeight: 328.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+]=C(N1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c20-15(11-4-2-1-3-5-11)12-6-7-14(13(10-12)19(21)22)23-16-17-8-9-18-16/h1-7,10H,8-9H2,(H,17,18)/p+1