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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C22H32N4OS/c1-22(2,3)17-13-11-16(12-14-17)20-24-25-21(26(20)4)28-15-19(27)23-18-9-7-5-6-8-10-18/h11-14,18H,5-10,15H2,1-4H3,(H,23,27)