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

Systemtic Name: 2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-ethyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C28H23N7S MolecularWeight: 489.59412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C28H23N7S/c1-2-35-27(21-16-24(18-10-4-3-5-11-18)30-22-14-8-6-12-19(21)22)33-34-28(35)36-17-25-31-23-15-9-7-13-20(23)26(29)32-25/h3-16H,2,17H2,1H3,(H2,29,31,32)