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

Systemtic Name: methyl 3-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=C(SC=C2)C(=O)OC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(SC=C2)C(=O)OC)C3=CC=NC=C3

InChI

InChI=1S/C18H19N5O3S2/c1-3-9-23-16(12-4-7-19-8-5-12)21-22-18(23)28-11-14(24)20-13-6-10-27-15(13)17(25)26-2/h4-8,10H,3,9,11H2,1-2H3,(H,20,24)