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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=CC=C3C(C)(C)C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=CC=C3C(C)(C)C

InChI

InChI=1S/C21H30N4OS/c1-15-23-24-20(25(15)16-10-6-5-7-11-16)27-14-19(26)22-18-13-9-8-12-17(18)21(2,3)4/h8-9,12-13,16H,5-7,10-11,14H2,1-4H3,(H,22,26)