4-methylsulfanyl-3-nitro-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-(3-oxidanylpropyl)benzamide Openeye Name: N-(3-hydroxypropyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(3-hydroxypropyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(3-hydroxypropyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(3-hydroxypropyl)-4-(methylthio)-3-nitro-benzamide Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCCCO)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4S/c1-18-10-4-3-8(7-9(10)13(16)17)11(15)12-5-2-6-14/h3-4,7,14H,2,5-6H2,1H3,(H,12,15)