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

Systemtic Name: N-[4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]ethanamide Openeye Name: N-[4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide CAS Name: N-[4-[5-[(4-tert-butylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide IUPAC Name: N-[4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide Traditional Name: N-[4-[5-[(4-tert-butylbenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26N4OS/c1-15(27)23-19-12-8-17(9-13-19)20-24-25-21(26(20)5)28-14-16-6-10-18(11-7-16)22(2,3)4/h6-13H,14H2,1-5H3,(H,23,27)