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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide CAS Name: N-[oxo(propylamino)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(propylcarbamoyl)acetamide Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H17N5O2S/c1-2-8-15-13(21)16-11(20)9-22-14-17-12(18-19-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18,19)(H2,15,16,20,21)