2-chloranyl-N-(3-ethynylphenyl)-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-(3-ethynylphenyl)-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-(3-ethynylphenyl)-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-(3-ethynylphenyl)-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-(3-ethynylphenyl)-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-(3-ethynylphenyl)-5-(methylthio)benzamide Formula: C16H12ClNOS MolecularWeight: 301.79058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C16H12ClNOS/c1-3-11-5-4-6-12(9-11)18-16(19)14-10-13(20-2)7-8-15(14)17/h1,4-10H,2H3,(H,18,19)