3-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C)CCC(=O)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C)CCC(=O)N)C)C(C)(C)C

InChI

InChI=1S/C19H28N4OS/c1-12-9-14(19(3,4)5)10-13(2)15(12)11-25-18-22-21-17(23(18)6)8-7-16(20)24/h9-10H,7-8,11H2,1-6H3,(H2,20,24)