2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynyl-pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynyl-pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynyl-pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-prop-2-ynyl-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylpyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-propargyl-nicotinamide Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC#C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC#C)C

InChI

InChI=1S/C17H16N2OS/c1-4-9-18-16(20)15-6-5-10-19-17(15)21-14-8-7-12(2)13(3)11-14/h1,5-8,10-11H,9H2,2-3H3,(H,18,20)