methyl N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]carbamate

Systemtic Name: methyl N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]carbamate Openeye Name: methyl N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate CAS Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate Traditional Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]carbamic acid methyl ester Formula: C6H9N5O3S MolecularWeight: 231.23236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

COC(=O)NC(=O)CSC1=NNC(=N1)N

InChI

InChI=1S/C6H9N5O3S/c1-14-6(13)8-3(12)2-15-5-9-4(7)10-11-5/h2H2,1H3,(H,8,12,13)(H3,7,9,10,11)