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

Systemtic Name: methyl 2-[2-[(4-ethyl-5-hexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-ethyl-5-hexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(4-ethyl-5-hexyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-ethyl-5-hexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-ethyl-5-hexyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN=C(N1CC)SCC(=O)NC2=C(C=CS2)C(=O)OC

Isomeric SMILES

CCCCCCC1=NN=C(N1CC)SCC(=O)NC2=C(C=CS2)C(=O)OC

InChI

InChI=1S/C18H26N4O3S2/c1-4-6-7-8-9-14-20-21-18(22(14)5-2)27-12-15(23)19-16-13(10-11-26-16)17(24)25-3/h10-11H,4-9,12H2,1-3H3,(H,19,23)