(2E)-2-[3,3-bis(chloranyl)-1-nitro-2-phenylsulfanyl-prop-2-enylidene]-5-methyl-1,3-dihydrobenzimidazole

Systemtic Name: (2E)-2-[3,3-bis(chloranyl)-1-nitro-2-phenylsulfanyl-prop-2-enylidene]-5-methyl-1,3-dihydrobenzimidazole Openeye Name: (2E)-2-(3,3-dichloro-1-nitro-2-phenylsulfanyl-prop-2-enylidene)-5-methyl-1,3-dihydrobenzimidazole CAS Name: (2E)-2-[3,3-dichloro-1-nitro-2-(phenylthio)prop-2-enylidene]-5-methyl-1,3-dihydrobenzimidazole IUPAC Name: (2E)-2-(3,3-dichloro-1-nitro-2-phenylsulfanylprop-2-enylidene)-5-methyl-1,3-dihydrobenzimidazole Traditional Name: (2E)-2-[3,3-dichloro-1-nitro-2-(phenylthio)prop-2-enylidene]-5-methyl-1,3-dihydrobenzimidazole Formula: C17H13Cl2N3O2S MolecularWeight: 394.27502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(C(=C(Cl)Cl)SC3=CC=CC=C3)[N+](=O)[O-])N2

Isomeric SMILES

CC1=CC2=C(C=C1)N/C(=C(/C(=C(Cl)Cl)SC3=CC=CC=C3)\[N+](=O)[O-])/N2

InChI

InChI=1S/C17H13Cl2N3O2S/c1-10-7-8-12-13(9-10)21-17(20-12)14(22(23)24)15(16(18)19)25-11-5-3-2-4-6-11/h2-9,20-21H,1H3/b17-14+