N-(2-ethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide

Systemtic Name: N-(2-ethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide Openeye Name: N-(2-ethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide CAS Name: N-(2-ethylphenyl)-4-[(4-methoxyphenyl)methylthio]-3-nitrobenzamide IUPAC Name: N-(2-ethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitrobenzamide Traditional Name: N-(2-ethylphenyl)-3-nitro-4-(p-anisylthio)benzamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O4S/c1-3-17-6-4-5-7-20(17)24-23(26)18-10-13-22(21(14-18)25(27)28)30-15-16-8-11-19(29-2)12-9-16/h4-14H,3,15H2,1-2H3,(H,24,26)