2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]acetamide Formula: C18H16N5O3S+ MolecularWeight: 382.41634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C=CC=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c24-17(12-27-18-20-14-8-2-3-9-15(14)21-18)22-19-11-5-7-13-6-1-4-10-16(13)23(25)26/h1-11H,12H2,(H,20,21)(H,22,24)/p+1