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

Systemtic Name: 3-(phenylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-benzyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-(phenylmethyl)-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-quinazolinone IUPAC Name: 3-benzyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-one Formula: C24H19N5OS MolecularWeight: 425.50556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)CSC4=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)CSC4=NNC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H19N5OS/c30-23-19-13-7-8-14-20(19)25-21(29(23)15-17-9-3-1-4-10-17)16-31-24-26-22(27-28-24)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,26,27,28)