3-[(4-azanyl-2-fluoranyl-phenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-azanyl-2-fluoranyl-phenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-amino-2-fluoro-phenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-amino-2-fluorophenyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-amino-2-fluorophenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-amino-2-fluoro-phenyl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H11FN4OS MolecularWeight: 302.326743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=C(C=C(C=C3)N)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=C(C=C(C=C3)N)F

InChI

InChI=1S/C14H11FN4OS/c15-11-7-9(16)5-6-13(11)21-8-19-14(20)10-3-1-2-4-12(10)17-18-19/h1-7H,8,16H2