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

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C19H16FN5OS MolecularWeight: 381.426643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=NC(=NN1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C19H16FN5OS/c1-2-16-22-19(24-23-16)27-11-17-21-15-6-4-3-5-14(15)18(26)25(17)13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,22,23,24)