N-(2-fluorophenyl)-2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide

Systemtic Name: N-(2-fluorophenyl)-2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide Openeye Name: N-(2-fluorophenyl)-2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide CAS Name: N-(2-fluorophenyl)-2-[[2-[2-(2-methyl-1-benzimidazolyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]butanamide IUPAC Name: N-(2-fluorophenyl)-2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide Traditional Name: N-(2-fluorophenyl)-2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]butyramide Formula: C29H26FN7OS MolecularWeight: 539.626443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1F)SC2=NC3=CC=CC=C3C4=NC(=NN42)CCN5C(=NC6=CC=CC=C65)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1F)SC2=NC3=CC=CC=C3C4=NC(=NN42)CCN5C(=NC6=CC=CC=C65)C

InChI

InChI=1S/C29H26FN7OS/c1-3-25(28(38)32-22-13-7-5-11-20(22)30)39-29-33-21-12-6-4-10-19(21)27-34-26(35-37(27)29)16-17-36-18(2)31-23-14-8-9-15-24(23)36/h4-15,25H,3,16-17H2,1-2H3,(H,32,38)