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

Systemtic Name: 7-chloranyl-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H17ClN6O2S MolecularWeight: 476.93808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C23H17ClN6O2S/c1-32-17-5-3-16(4-6-17)30-21(14-8-10-25-11-9-14)28-29-23(30)33-13-20-26-19-12-15(24)2-7-18(19)22(31)27-20/h2-12H,13H2,1H3,(H,26,27,31)