N-[4-(cyanomethylsulfanyl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(cyanomethylsulfanyl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(cyanomethylsulfanyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(cyanomethylthio)phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(cyanomethylsulfanyl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(cyanomethylthio)phenyl]-3-nitro-benzamide Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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