(2R)-N-(2-chloranyl-4-nitro-phenyl)-2-(2,5-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-chloranyl-4-nitro-phenyl)-2-(2,5-dimethylphenyl)sulfanyl-propanamide Openeye Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-(2,5-dimethylphenyl)sulfanyl-propanamide CAS Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-[(2,5-dimethylphenyl)thio]propanamide IUPAC Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-(2,5-dimethylphenyl)sulfanylpropanamide Traditional Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-[(2,5-dimethylphenyl)thio]propionamide Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S[C@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN2O3S/c1-10-4-5-11(2)16(8-10)24-12(3)17(21)19-15-7-6-13(20(22)23)9-14(15)18/h4-9,12H,1-3H3,(H,19,21)/t12-/m1/s1