2-chloranyl-4-nitro-N-[2-(phenylmethylsulfanyl)phenyl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[2-(phenylmethylsulfanyl)phenyl]benzamide Openeye Name: N-(2-benzylsulfanylphenyl)-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-N-[2-(phenylmethylthio)phenyl]benzamide IUPAC Name: N-(2-benzylsulfanylphenyl)-2-chloro-4-nitrobenzamide Traditional Name: N-[2-(benzylthio)phenyl]-2-chloro-4-nitro-benzamide Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClN2O3S/c21-17-12-15(23(25)26)10-11-16(17)20(24)22-18-8-4-5-9-19(18)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,24)