ethyl 5-azanyl-4-cyano-3-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C14H17N5O3S2 MolecularWeight: 367.44648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C14H17N5O3S2/c1-3-5-19-13(21)17-18-14(19)23-7-9-8(6-15)11(16)24-10(9)12(20)22-4-2/h3-5,7,16H2,1-2H3,(H,17,21)