N-[cyano(methylsulfanyl)methyl]-4-nitro-benzamide

Systemtic Name: N-[cyano(methylsulfanyl)methyl]-4-nitro-benzamide Openeye Name: N-[cyano(methylsulfanyl)methyl]-4-nitro-benzamide CAS Name: N-[cyano-(methylthio)methyl]-4-nitrobenzamide IUPAC Name: N-[cyano(methylsulfanyl)methyl]-4-nitrobenzamide Traditional Name: N-[cyano-(methylthio)methyl]-4-nitro-benzamide Formula: C10H9N3O3S MolecularWeight: 251.26176

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C#N)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CSC(C#N)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O3S/c1-17-9(6-11)12-10(14)7-2-4-8(5-3-7)13(15)16/h2-5,9H,1H3,(H,12,14)