N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(1,1-dimethylpropyl)cyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-tert-amylcyclohexyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4OS/c1-4-21(2,3)16-10-12-17(13-11-16)22-18(26)14-27-20-23-19(24-25-20)15-8-6-5-7-9-15/h5-9,16-17H,4,10-14H2,1-3H3,(H,22,26)(H,23,24,25)