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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)-2-phenyl-ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(ethylcarbamoyl)-2-phenylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)-2-phenylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NNC(=N2)N

Isomeric SMILES

CCNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NNC(=N2)N

InChI

InChI=1S/C13H16N6O2S/c1-2-15-12(21)16-10(20)9(8-6-4-3-5-7-8)22-13-17-11(14)18-19-13/h3-7,9H,2H2,1H3,(H3,14,17,18,19)(H2,15,16,20,21)