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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C22H15ClN6OS MolecularWeight: 446.9121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C22H15ClN6OS/c23-15-4-3-5-16(12-15)29-20(14-8-10-24-11-9-14)27-28-22(29)31-13-19-25-18-7-2-1-6-17(18)21(30)26-19/h1-12H,13H2,(H,25,26,30)