2-(cyanomethylsulfanyl)-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(3-oxidanylpropyl)benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(3-hydroxypropyl)benzamide CAS Name: 2-(cyanomethylthio)-N-(3-hydroxypropyl)benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(3-hydroxypropyl)benzamide Traditional Name: 2-(cyanomethylthio)-N-(3-hydroxypropyl)benzamide Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCO)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCO)SCC#N

InChI

InChI=1S/C12H14N2O2S/c13-6-9-17-11-5-2-1-4-10(11)12(16)14-7-3-8-15/h1-2,4-5,15H,3,7-9H2,(H,14,16)