N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)CSC2=NC=NN2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)CSC2=NC=NN2)C)C(C)(C)C

InChI

InChI=1S/C18H26N4OS/c1-12-8-14(18(3,4)5)9-13(2)15(12)6-7-19-16(23)10-24-17-20-11-21-22-17/h8-9,11H,6-7,10H2,1-5H3,(H,19,23)(H,20,21,22)