N-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[(E)-(2-chloro-5-nitro-phenyl)methyleneamino]propanamide CAS Name: N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]propanamide Traditional Name: 2-(benzylthio)-N-[(E)-(2-chloro-5-nitro-benzylidene)amino]propionamide Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N/N=C/C1=C(C=CC(=C1)[N+](=O)[O-])Cl)SCC2=CC=CC=C2

InChI

InChI=1S/C17H16ClN3O3S/c1-12(25-11-13-5-3-2-4-6-13)17(22)20-19-10-14-9-15(21(23)24)7-8-16(14)18/h2-10,12H,11H2,1H3,(H,20,22)/b19-10+