N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-chloranyl-benzamide

Systemtic Name: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-chloranyl-benzamide Openeye Name: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-chloro-benzamide CAS Name: N-[[5-[(4-tert-butylphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide IUPAC Name: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide Traditional Name: N-[[5-[(4-tert-butylbenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-chloro-benzamide Formula: C23H27ClN4OS MolecularWeight: 443.00468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN4OS/c1-5-28-20(14-25-21(29)17-8-12-19(24)13-9-17)26-27-22(28)30-15-16-6-10-18(11-7-16)23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,25,29)