2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-allyl-5-(4-decoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-allyl-5-(4-decoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C29H37N5OS MolecularWeight: 503.70198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C29H37N5OS/c1-3-5-6-7-8-9-10-13-21-35-24-18-16-23(17-19-24)28-32-33-29(34(28)20-4-2)36-22-27-30-25-14-11-12-15-26(25)31-27/h4,11-12,14-19H,2-3,5-10,13,20-22H2,1H3,(H,30,31)