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

Systemtic Name: 3-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(2-amino-4-bromo-phenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(2-amino-4-bromophenyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2-amino-4-bromophenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(2-amino-4-bromo-phenyl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H11BrN4OS MolecularWeight: 363.23234

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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)Br)N

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN4OS/c15-9-5-6-13(11(16)7-9)21-8-19-14(20)10-3-1-2-4-12(10)17-18-19/h1-7H,8,16H2