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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)acetamide Formula: C27H28N4OS2 MolecularWeight: 488.66742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C27H28N4OS2/c32-26(28-24-16-8-7-15-23(24)20-10-3-1-4-11-20)19-34-27-30-29-25(18-22-14-9-17-33-22)31(27)21-12-5-2-6-13-21/h1,3-4,7-11,14-17,21H,2,5-6,12-13,18-19H2,(H,28,32)