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

Systemtic Name: N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methyl-benzamide Openeye Name: N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methyl-benzamide CAS Name: N-[1-[5-[(4-chlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide IUPAC Name: N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide Traditional Name: N-[1-[5-[(4-chlorobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methyl-benzamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4OS/c1-4-26-19(15(3)23-20(27)17-9-5-14(2)6-10-17)24-25-21(26)28-13-16-7-11-18(22)12-8-16/h5-12,15H,4,13H2,1-3H3,(H,23,27)