2-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methylthio]-1H-benzimidazole Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=N2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=N2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H19N5O3S/c1-25-14-8-11(9-15(26-2)17(14)27-3)18-22-16(23-24-18)10-28-19-20-12-6-4-5-7-13(12)21-19/h4-9H,10H2,1-3H3,(H,20,21)(H,22,23,24)