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

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenethyl-thiazole-4-carboxamide CAS Name: 2-[[[4-(5-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-(5-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenethyl-thiazole-4-carboxamide Formula: C27H23ClN6OS2 MolecularWeight: 547.09412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=NC(=CS3)C(=O)NCCC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=NC(=CS3)C(=O)NCCC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C27H23ClN6OS2/c1-18-7-8-21(28)15-23(18)34-25(20-10-12-29-13-11-20)32-33-27(34)37-17-24-31-22(16-36-24)26(35)30-14-9-19-5-3-2-4-6-19/h2-8,10-13,15-16H,9,14,17H2,1H3,(H,30,35)