N-(2-chloranyl-5-nitro-phenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: 3-(benzylthio)-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

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