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

Systemtic Name: 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C17H15N5OS MolecularWeight: 337.3989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=CO4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=CO4

InChI

InChI=1S/C17H15N5OS/c1-2-9-22-16(14-8-5-10-23-14)20-21-17(22)24-11-15-18-12-6-3-4-7-13(12)19-15/h2-8,10H,1,9,11H2,(H,18,19)