2-[[4-(5-chloranyl-2-methyl-phenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-thiazole-4-carboxamide CAS Name: 2-[[[4-(5-chloro-2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-N-hexyl-4-thiazolecarboxamide IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-(5-chloro-2-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-hexyl-thiazole-4-carboxamide Formula: C25H27ClN6OS2 MolecularWeight: 527.10448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)C)C4=CN=CC=C4

Isomeric SMILES

CCCCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)C)C4=CN=CC=C4

InChI

InChI=1S/C25H27ClN6OS2/c1-3-4-5-6-12-28-24(33)20-15-34-22(29-20)16-35-25-31-30-23(18-8-7-11-27-14-18)32(25)21-13-19(26)10-9-17(21)2/h7-11,13-15H,3-6,12,16H2,1-2H3,(H,28,33)