2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[(5-benzyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-yl]amine Formula: C26H24N6OS MolecularWeight: 468.57336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N6OS/c1-2-33-20-14-12-19(13-15-20)32-24(16-18-8-4-3-5-9-18)30-31-26(32)34-17-23-28-22-11-7-6-10-21(22)25(27)29-23/h3-15H,2,16-17H2,1H3,(H2,27,28,29)