ethyl 2-[2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21N5O3S2 MolecularWeight: 431.53174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(S2)C)C(=O)OCC)C3=CN=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(S2)C)C(=O)OCC)C3=CN=CC=C3

InChI

InChI=1S/C19H21N5O3S2/c1-4-24-16(13-7-6-8-20-10-13)22-23-19(24)28-11-15(25)21-17-14(9-12(3)29-17)18(26)27-5-2/h6-10H,4-5,11H2,1-3H3,(H,21,25)