N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: N-[2-[(3,4-dichlorophenyl)methylthio]ethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: N-[2-[(3,4-dichlorobenzyl)thio]ethyl]-3-(4-nitrophenyl)acrylamide Formula: C18H16Cl2N2O3S MolecularWeight: 411.30224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NCCSCC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=CC(=O)NCCSCC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16Cl2N2O3S/c19-16-7-3-14(11-17(16)20)12-26-10-9-21-18(23)8-4-13-1-5-15(6-2-13)22(24)25/h1-8,11H,9-10,12H2,(H,21,23)