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

Systemtic Name: methyl 2-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H28N4O3S2 MolecularWeight: 484.63412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)C4CCCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)C4CCCCC4

InChI

InChI=1S/C24H28N4O3S2/c1-3-28-21(17-12-8-5-9-13-17)26-27-24(28)33-15-19(29)25-22-20(23(30)31-2)18(14-32-22)16-10-6-4-7-11-16/h4,6-7,10-11,14,17H,3,5,8-9,12-13,15H2,1-2H3,(H,25,29)