N-(2,5-dimethylphenyl)-3-pyridin-2-ylsulfanyl-propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-pyridin-2-ylsulfanyl-propanamide Openeye Name: N-(2,5-dimethylphenyl)-3-(2-pyridylsulfanyl)propanamide CAS Name: N-(2,5-dimethylphenyl)-3-(2-pyridinylthio)propanamide IUPAC Name: N-(2,5-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide Traditional Name: N-(2,5-dimethylphenyl)-3-(2-pyridylthio)propionamide Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=CC=CC=N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=CC=CC=N2

InChI

InChI=1S/C16H18N2OS/c1-12-6-7-13(2)14(11-12)18-15(19)8-10-20-16-5-3-4-9-17-16/h3-7,9,11H,8,10H2,1-2H3,(H,18,19)