2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-nitrophenyl)methylideneamino]propanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-nitrophenyl)methylideneamino]propanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-nitrophenyl)methyleneamino]propanamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(4-nitrophenyl)methylideneamino]propanamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-nitrophenyl)methylideneamino]propanamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(4-nitrobenzylidene)amino]propionamide Formula: C17H16N5O3S+ MolecularWeight: 370.40564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-])SC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(C(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-])SC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C17H15N5O3S/c1-11(26-17-19-14-4-2-3-5-15(14)20-17)16(23)21-18-10-12-6-8-13(9-7-12)22(24)25/h2-11H,1H3,(H,19,20)(H,21,23)/p+1