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

Systemtic Name: N-hexyl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-hexyl-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-hexyl-2-[[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-hexyl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-hexyl-2-[[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C25H28N6OS2 MolecularWeight: 492.65942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6OS2/c1-3-4-5-6-13-27-24(32)21-16-33-22(28-21)17-34-25-30-29-23(19-11-14-26-15-12-19)31(25)20-9-7-18(2)8-10-20/h7-12,14-16H,3-6,13,17H2,1-2H3,(H,27,32)