3-nitro-N-[4-(phenylmethylsulfanyl)phenyl]benzamide

Systemtic Name: 3-nitro-N-[4-(phenylmethylsulfanyl)phenyl]benzamide Openeye Name: N-(4-benzylsulfanylphenyl)-3-nitro-benzamide CAS Name: 3-nitro-N-[4-(phenylmethylthio)phenyl]benzamide IUPAC Name: N-(4-benzylsulfanylphenyl)-3-nitrobenzamide Traditional Name: N-[4-(benzylthio)phenyl]-3-nitro-benzamide Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O3S/c23-20(16-7-4-8-18(13-16)22(24)25)21-17-9-11-19(12-10-17)26-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,21,23)