3-(4-chlorophenyl)sulfanyl-N-[(E)-(2-methoxy-5-nitro-phenyl)methylideneamino]propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-[(E)-(2-methoxy-5-nitro-phenyl)methylideneamino]propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-[(E)-(2-methoxy-5-nitro-phenyl)methyleneamino]propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-[(E)-(2-methoxy-5-nitro-benzylidene)amino]propionamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])/C=N/NC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H16ClN3O4S/c1-25-16-7-4-14(21(23)24)10-12(16)11-19-20-17(22)8-9-26-15-5-2-13(18)3-6-15/h2-7,10-11H,8-9H2,1H3,(H,20,22)/b19-11+