N-[4-(cyanomethylsulfanyl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-(cyanomethylsulfanyl)phenyl]-4-nitro-benzamide Openeye Name: N-[4-(cyanomethylsulfanyl)phenyl]-4-nitro-benzamide CAS Name: N-[4-(cyanomethylthio)phenyl]-4-nitrobenzamide IUPAC Name: N-[4-(cyanomethylsulfanyl)phenyl]-4-nitrobenzamide Traditional Name: N-[4-(cyanomethylthio)phenyl]-4-nitro-benzamide Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3S/c16-9-10-22-14-7-3-12(4-8-14)17-15(19)11-1-5-13(6-2-11)18(20)21/h1-8H,10H2,(H,17,19)