4-methylsulfanyl-3-nitro-N-pentan-3-yl-benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-pentan-3-yl-benzamide Openeye Name: N-(1-ethylpropyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: 4-(methylthio)-3-nitro-N-pentan-3-ylbenzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-pentan-3-ylbenzamide Traditional Name: N-(1-ethylpropyl)-4-(methylthio)-3-nitro-benzamide Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3S/c1-4-10(5-2)14-13(16)9-6-7-12(19-3)11(8-9)15(17)18/h6-8,10H,4-5H2,1-3H3,(H,14,16)