3-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H12BrN7OS MolecularWeight: 430.28178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=C(N3N)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=C(N3N)C4=CC=CC=C4Br

InChI

InChI=1S/C16H12BrN7OS/c17-12-7-3-1-5-10(12)14-20-21-16(24(14)18)26-9-23-15(25)11-6-2-4-8-13(11)19-22-23/h1-8H,9,18H2