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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(5-benzyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C(=CC=C4)C)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C(=CC=C4)C)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2S/c1-3-34-21-14-12-20(13-15-21)32-24(16-19-9-5-4-6-10-19)30-31-27(32)35-17-23-28-25-18(2)8-7-11-22(25)26(33)29-23/h4-15H,3,16-17H2,1-2H3,(H,28,29,33)