2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]ethanamide

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]ethanamide Openeye Name: 2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]acetamide CAS Name: 2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]acetamide IUPAC Name: 2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]acetamide Traditional Name: 2-[[5-(2-chlorophenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]acetamide Formula: C26H31ClN4O2S MolecularWeight: 499.06794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3CCCC(C3C)C)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N[C@H]3CCC[C@@H]([C@@H]3C)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H31ClN4O2S/c1-4-33-20-14-12-19(13-15-20)31-25(21-9-5-6-10-22(21)27)29-30-26(31)34-16-24(32)28-23-11-7-8-17(2)18(23)3/h5-6,9-10,12-15,17-18,23H,4,7-8,11,16H2,1-3H3,(H,28,32)/t17-,18-,23-/m0/s1