N-(3-ethylpent-1-yn-3-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-4-(methylthio)-3-nitro-benzamide Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-5-15(6-2,7-3)16-14(18)11-8-9-13(21-4)12(10-11)17(19)20/h1,8-10H,6-7H2,2-4H3,(H,16,18)