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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H18N6O2S MolecularWeight: 442.49302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=NC=C5

InChI

InChI=1S/C23H18N6O2S/c1-31-17-8-6-16(7-9-17)29-21(15-10-12-24-13-11-15)27-28-23(29)32-14-20-25-19-5-3-2-4-18(19)22(30)26-20/h2-13H,14H2,1H3,(H,25,26,30)