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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: 2-[[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(4-phenylbutan-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-[[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C29H28N6OS2 MolecularWeight: 540.70222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)NC(C)CCC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)NC(C)CCC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H28N6OS2/c1-20-9-6-7-13-25(20)35-27(23-12-8-16-30-17-23)33-34-29(35)38-19-26-32-24(18-37-26)28(36)31-21(2)14-15-22-10-4-3-5-11-22/h3-13,16-18,21H,14-15,19H2,1-2H3,(H,31,36)