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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one CAS Name: 2-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-one Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C25H21N5O2S/c1-32-19-13-11-18(12-14-19)23-27-25(29-28-23)33-16-22-26-21-10-6-5-9-20(21)24(31)30(22)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,27,28,29)