N-(2-tert-butylphenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-tert-butylphenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(2-tert-butylphenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(2-tert-butylphenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(2-tert-butylphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(2-tert-butylphenyl)-4-(methylthio)-3-nitro-benzamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O3S/c1-18(2,3)13-7-5-6-8-14(13)19-17(21)12-9-10-16(24-4)15(11-12)20(22)23/h5-11H,1-4H3,(H,19,21)