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

Systemtic Name: 3-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H11FN6OS MolecularWeight: 354.361543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=CN3C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=CN3C4=CC=CC=C4F

InChI

InChI=1S/C16H11FN6OS/c17-12-6-2-4-8-14(12)22-9-18-20-16(22)25-10-23-15(24)11-5-1-3-7-13(11)19-21-23/h1-9H,10H2