2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(1-methyl-3-phenyl-propyl)thiazole-4-carboxamide CAS Name: 2-[[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-N-(4-phenylbutan-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(1-methyl-3-phenyl-propyl)thiazole-4-carboxamide Formula: C28H25ClN6OS2 MolecularWeight: 561.1207

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C28H25ClN6OS2/c1-19(10-11-20-6-3-2-4-7-20)31-27(36)24-17-37-25(32-24)18-38-28-34-33-26(21-12-14-30-15-13-21)35(28)23-9-5-8-22(29)16-23/h2-9,12-17,19H,10-11,18H2,1H3,(H,31,36)