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

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C20H16FN5OS MolecularWeight: 393.437343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1CC1N2C=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C20H16FN5OS/c21-13-5-7-15(8-6-13)26-18(23-17-4-2-1-3-16(17)19(26)27)11-28-20-24-22-12-25(20)14-9-10-14/h1-8,12,14H,9-11H2