2-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-amino-5-(2-fluorobenzyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H15FN6OS MolecularWeight: 382.414703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NN=C(N2N)SCC3=NC(=O)C4=CC=CC=C4N3)F

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NN=C(N2N)SCC3=NC(=O)C4=CC=CC=C4N3)F

InChI

InChI=1S/C18H15FN6OS/c19-13-7-3-1-5-11(13)9-16-23-24-18(25(16)20)27-10-15-21-14-8-4-2-6-12(14)17(26)22-15/h1-8H,9-10,20H2,(H,21,22,26)