4-methylsulfanyl-2-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-methylsulfanyl-2-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-4-methylsulfanyl-2-nitro-benzamide CAS Name: 4-(methylthio)-2-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-methylsulfanyl-2-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-4-(methylthio)-2-nitro-benzamide Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S/c1-7(2)12-11(14)9-5-4-8(17-3)6-10(9)13(15)16/h4-7H,1-3H3,(H,12,14)