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

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)N5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)N5CCCCC5

InChI

InChI=1S/C23H24N6O2S/c1-31-19-12-6-5-11-18(19)29-22(28-13-7-2-8-14-28)26-27-23(29)32-15-20-24-17-10-4-3-9-16(17)21(30)25-20/h3-6,9-12H,2,7-8,13-15H2,1H3,(H,24,25,30)