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

Systemtic Name: 2-chloranyl-4-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-chloro-4-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-2-chloro-4-nitro-benzamide Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3S/c17-15-10-13(19(21)22)6-7-14(15)16(20)18-8-9-23-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,20)