2-[(3-methylsulfanylphenyl)amino]-N-prop-2-ynyl-propanamide

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-N-prop-2-ynyl-propanamide Openeye Name: 2-(3-methylsulfanylanilino)-N-prop-2-ynyl-propanamide CAS Name: 2-[3-(methylthio)anilino]-N-prop-2-ynylpropanamide IUPAC Name: 2-(3-methylsulfanylanilino)-N-prop-2-ynylpropanamide Traditional Name: 2-[3-(methylthio)anilino]-N-propargyl-propionamide Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)NC1=CC(=CC=C1)SC

Isomeric SMILES

CC(C(=O)NCC#C)NC1=CC(=CC=C1)SC

InChI

InChI=1S/C13H16N2OS/c1-4-8-14-13(16)10(2)15-11-6-5-7-12(9-11)17-3/h1,5-7,9-10,15H,8H2,2-3H3,(H,14,16)