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

Systemtic Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C20H17FN6S MolecularWeight: 392.452583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)C5=CC=CC=C5F

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)C5=CC=CC=C5F

InChI

InChI=1S/C20H17FN6S/c21-15-7-3-1-5-13(15)19-25-26-20(27(19)12-9-10-12)28-11-17-23-16-8-4-2-6-14(16)18(22)24-17/h1-8,12H,9-11H2,(H2,22,23,24)