4-[(4-fluorophenyl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(4-fluorophenyl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(4-fluorophenyl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(4-fluorophenyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(4-fluorophenyl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(4-fluorophenyl)thio]methyl]-3-nitro-benzamide Formula: C14H11FN2O3S MolecularWeight: 306.312143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1F)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H11FN2O3S/c15-11-3-5-12(6-4-11)21-8-10-2-1-9(14(16)18)7-13(10)17(19)20/h1-7H,8H2,(H2,16,18)