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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H17N5O2S3 MolecularWeight: 419.54418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C17H17N5O2S3/c1-3-22-15(12-6-5-7-25-12)20-21-17(22)26-9-11-10(8-18)14(19)27-13(11)16(23)24-4-2/h5-7H,3-4,9,19H2,1-2H3