2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H24ClN5OS MolecularWeight: 453.98756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN5OS/c1-2-3-4-7-14-29-21(16-10-12-17(24)13-11-16)27-28-23(29)31-15-20-25-19-9-6-5-8-18(19)22(30)26-20/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,25,26,30)