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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H19N5OS/c1-3-11-25-19(14-7-6-8-15(12-14)26-2)23-24-20(25)27-13-18-21-16-9-4-5-10-17(16)22-18/h3-10,12H,1,11,13H2,2H3,(H,21,22)