3-nitro-4-(4-propan-2-ylphenyl)sulfanyl-benzamide

Systemtic Name: 3-nitro-4-(4-propan-2-ylphenyl)sulfanyl-benzamide Openeye Name: 4-(4-isopropylphenyl)sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[(4-propan-2-ylphenyl)thio]benzamide IUPAC Name: 3-nitro-4-(4-propan-2-ylphenyl)sulfanylbenzamide Traditional Name: 3-nitro-4-(p-cumenylthio)benzamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-10(2)11-3-6-13(7-4-11)22-15-8-5-12(16(17)19)9-14(15)18(20)21/h3-10H,1-2H3,(H2,17,19)