2-[[5-(2-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[[5-(2-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]thiazole-4-carboxamide CAS Name: 2-[[[5-(2-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-[(4-fluorophenyl)methyl]-4-thiazolecarboxamide IUPAC Name: 2-[[5-(2-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[5-(2-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(4-fluorobenzyl)thiazole-4-carboxamide Formula: C27H21ClFN5OS2 MolecularWeight: 550.069943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H21ClFN5OS2/c1-17-6-12-20(13-7-17)34-25(21-4-2-3-5-22(21)28)32-33-27(34)37-16-24-31-23(15-36-24)26(35)30-14-18-8-10-19(29)11-9-18/h2-13,15H,14,16H2,1H3,(H,30,35)