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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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