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

Systemtic Name: N-hexyl-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-hexyl-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-hexyl-2-[[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-hexyl-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-hexyl-2-[[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C21H27N5OS2 MolecularWeight: 429.60198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3C)C

Isomeric SMILES

CCCCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3C)C

InChI

InChI=1S/C21H27N5OS2/c1-4-5-6-9-12-22-20(27)17-13-28-19(23-17)14-29-21-25-24-16(3)26(21)18-11-8-7-10-15(18)2/h7-8,10-11,13H,4-6,9,12,14H2,1-3H3,(H,22,27)