2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C26H25N7S MolecularWeight: 467.5886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)C5=CN=CC=C5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)C5=CN=CC=C5

InChI

InChI=1S/C26H25N7S/c1-3-17-9-7-10-18(4-2)23(17)33-25(19-11-8-14-28-15-19)31-32-26(33)34-16-22-29-21-13-6-5-12-20(21)24(27)30-22/h5-15H,3-4,16H2,1-2H3,(H2,27,29,30)