N-(4-chloranyl-3-nitro-phenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(4-chloro-3-nitro-phenyl)propanamide CAS Name: N-(4-chloro-3-nitrophenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(4-chloro-3-nitrophenyl)propanamide Traditional Name: 3-(benzylthio)-N-(4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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