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

Systemtic Name: ethyl 4-methyl-2-[2-[(4-propyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-[[4-propyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(4-propyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-[(4-propyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-[[4-propyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C18H21N5O3S3 MolecularWeight: 451.58604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=NC(=C(S2)C(=O)OCC)C)C3=CC=CS3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=NC(=C(S2)C(=O)OCC)C)C3=CC=CS3

InChI

InChI=1S/C18H21N5O3S3/c1-4-8-23-15(12-7-6-9-27-12)21-22-18(23)28-10-13(24)20-17-19-11(3)14(29-17)16(25)26-5-2/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,20,24)