2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-cyano-4-methyl-5-[2-(methylthio)ethyl]-1H-pyrrol-2-yl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-cyano-4-methyl-5-[2-(methylthio)ethyl]-1H-pyrrol-2-yl]acetamide Formula: C13H17N7OS2 MolecularWeight: 351.45038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#N)NC(=O)CSC2=NNC(=N2)N)CCSC

Isomeric SMILES

CC1=C(NC(=C1C#N)NC(=O)CSC2=NNC(=N2)N)CCSC

InChI

InChI=1S/C13H17N7OS2/c1-7-8(5-14)11(16-9(7)3-4-22-2)17-10(21)6-23-13-18-12(15)19-20-13/h16H,3-4,6H2,1-2H3,(H,17,21)(H3,15,18,19,20)