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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H34N4OS MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCC(C)CN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H34N4OS/c1-6-7-8-9-16(2)14-26-20(24-25-21(26)28-15-19(23)27)17-10-12-18(13-11-17)22(3,4)5/h10-13,16H,6-9,14-15H2,1-5H3,(H2,23,27)