2-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[(2-cyanobenzyl)thio]ethyl]-4-nitro-benzamide Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O3S/c18-16-9-14(21(23)24)5-6-15(16)17(22)20-7-8-25-11-13-4-2-1-3-12(13)10-19/h1-6,9H,7-8,11H2,(H,20,22)