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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C)CC)C(=O)OCC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C)CC)C(=O)OCC)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5O3S2/c1-5-12-27-19(15-8-10-23-11-9-15)25-26-22(27)31-13-17(28)24-20-18(21(29)30-7-3)16(6-2)14(4)32-20/h8-11H,5-7,12-13H2,1-4H3,(H,24,28)