N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-methoxy-5-nitro-benzamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C18H17N3O4S/c1-25-17-7-6-15(21(23)24)10-16(17)18(22)20-8-9-26-12-14-5-3-2-4-13(14)11-19/h2-7,10H,8-9,12H2,1H3,(H,20,22)