6-chloranyl-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H23ClN6O2S MolecularWeight: 482.98572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)N5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)N5CCCCC5

InChI

InChI=1S/C23H23ClN6O2S/c1-32-19-8-4-3-7-18(19)30-22(29-11-5-2-6-12-29)27-28-23(30)33-14-20-25-17-10-9-15(24)13-16(17)21(31)26-20/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,25,26,31)