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

Systemtic Name: methyl 2-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(S2)C)C(=O)OC)C3CCCCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(S2)C)C(=O)OC)C3CCCCC3

InChI

InChI=1S/C19H26N4O3S2/c1-4-23-16(13-8-6-5-7-9-13)21-22-19(23)27-11-15(24)20-17-14(18(25)26-3)10-12(2)28-17/h10,13H,4-9,11H2,1-3H3,(H,20,24)