N-(3,5-dimethylphenyl)-3-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(3,5-dimethylphenyl)-3-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(3,5-dimethylphenyl)-3-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(3,5-dimethylphenyl)-3-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(3,5-dimethylphenyl)-3-[(4-nitrophenyl)thio]propionamide Formula: C17H18N2O3S MolecularWeight: 330.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N2O3S/c1-12-9-13(2)11-14(10-12)18-17(20)7-8-23-16-5-3-15(4-6-16)19(21)22/h3-6,9-11H,7-8H2,1-2H3,(H,18,20)