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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C8H12N6O2S MolecularWeight: 256.28488

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NNC(=N1)N

InChI

InChI=1S/C8H12N6O2S/c1-2-3-10-7(16)11-5(15)4-17-8-12-6(9)13-14-8/h2H,1,3-4H2,(H3,9,12,13,14)(H2,10,11,15,16)