2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C28H30N4O2S2 MolecularWeight: 518.6934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C28H30N4O2S2/c33-27(29-22-13-15-24(16-14-22)34-19-21-8-3-1-4-9-21)20-36-28-31-30-26(18-25-12-7-17-35-25)32(28)23-10-5-2-6-11-23/h1,3-4,7-9,12-17,23H,2,5-6,10-11,18-20H2,(H,29,33)