N-[[4-(5-chloranyl-2-methyl-phenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pentanamide

Systemtic Name: N-[[4-(5-chloranyl-2-methyl-phenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pentanamide Openeye Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pentanamide CAS Name: N-[[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]pentanamide IUPAC Name: N-[[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pentanamide Traditional Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]valeramide Formula: C23H27ClN4OS MolecularWeight: 443.00468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC1=NN=C(N1C2=C(C=CC(=C2)Cl)C)SCC3=CC=CC=C3C

Isomeric SMILES

CCCCC(=O)NCC1=NN=C(N1C2=C(C=CC(=C2)Cl)C)SCC3=CC=CC=C3C

InChI

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