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

Systemtic Name: 3-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-one Formula: C18H14FN5OS MolecularWeight: 367.400063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC(=NN1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C18H14FN5OS/c1-11-20-18(23-22-11)26-10-16-21-15-5-3-2-4-14(15)17(25)24(16)13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H,20,22,23)