N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide Traditional Name: N-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide Formula: C25H29ClN4OS MolecularWeight: 469.04196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)C4CCCCC4

InChI

InChI=1S/C25H29ClN4OS/c1-17-13-14-21(26)15-22(17)30-23(18(2)27-24(31)20-11-7-4-8-12-20)28-29-25(30)32-16-19-9-5-3-6-10-19/h3,5-6,9-10,13-15,18,20H,4,7-8,11-12,16H2,1-2H3,(H,27,31)