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

Systemtic Name: 8-methyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H18N6OS MolecularWeight: 426.49362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C23H18N6OS/c1-15-6-5-9-18-20(15)25-19(26-22(18)30)14-31-23-28-27-21(16-10-12-24-13-11-16)29(23)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,25,26,30)