2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one CAS Name: 2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Traditional Name: 2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Formula: C19H14F3N5OS MolecularWeight: 417.40757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H14F3N5OS/c1-11-25-26-18(27(11)13-5-3-2-4-6-13)29-10-16-23-15-9-12(19(20,21)22)7-8-14(15)17(28)24-16/h2-9H,10H2,1H3,(H,23,24,28)