N-(2-methylpropyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-methylpropyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-isobutyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(2-methylpropyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(2-methylpropyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-isobutyl-4-(methylthio)-3-nitro-benzamide Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-8(2)7-13-12(15)9-4-5-11(18-3)10(6-9)14(16)17/h4-6,8H,7H2,1-3H3,(H,13,15)