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

Systemtic Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C24H20N6OS MolecularWeight: 440.5202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=NC=C5

InChI

InChI=1S/C24H20N6OS/c31-23-19-8-4-5-9-20(19)26-21(27-23)16-32-24-29-28-22(18-10-13-25-14-11-18)30(24)15-12-17-6-2-1-3-7-17/h1-11,13-14H,12,15-16H2,(H,26,27,31)