N-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[(E)-(2-chloro-5-nitro-phenyl)methyleneamino]-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[(E)-(2-chloro-5-nitro-benzylidene)amino]-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN5O3S/c1-22-15-5-3-2-4-14(15)20-17(22)27-10-16(24)21-19-9-11-8-12(23(25)26)6-7-13(11)18/h2-9H,10H2,1H3,(H,21,24)/b19-9+