2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetamide Formula: C28H37N5OS MolecularWeight: 491.69128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C28H37N5OS/c1-28(2,3)21-13-11-20(12-14-21)26-30-31-27(33(26)24-9-7-6-8-10-24)35-19-25(34)29-22-15-17-23(18-16-22)32(4)5/h11-18,24H,6-10,19H2,1-5H3,(H,29,34)