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

Systemtic Name: ethyl 2-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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)OCC)C4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3S2/c1-3-29-22(18-13-9-6-10-14-18)27-28-25(29)34-16-20(30)26-23-21(24(31)32-4-2)19(15-33-23)17-11-7-5-8-12-17/h5,7-8,11-12,15,18H,3-4,6,9-10,13-14,16H2,1-2H3,(H,26,30)