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

Systemtic Name: N-hexyl-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole-4-carboxamide Openeye Name: N-hexyl-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]oxazole-4-carboxamide CAS Name: N-hexyl-2-[[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxazolecarboxamide IUPAC Name: N-hexyl-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole-4-carboxamide Traditional Name: N-hexyl-2-[[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]oxazole-4-carboxamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=COC(=N1)CSC2=NN=C(N2C3=CC=C(C=C3)C)C

Isomeric SMILES

CCCCCCNC(=O)C1=COC(=N1)CSC2=NN=C(N2C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H27N5O2S/c1-4-5-6-7-12-22-20(27)18-13-28-19(23-18)14-29-21-25-24-16(3)26(21)17-10-8-15(2)9-11-17/h8-11,13H,4-7,12,14H2,1-3H3,(H,22,27)