2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-propargyl-acetamide Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

C#CCNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H12N4OS/c1-2-8-14-11(18)9-19-13-15-12(16-17-13)10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,14,18)(H,15,16,17)