3-(benzotriazol-1-ylmethylsulfanyl)-8-bromanyl-5-methyl-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-(benzotriazol-1-ylmethylsulfanyl)-8-bromanyl-5-methyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-(benzotriazol-1-ylmethylsulfanyl)-8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(1-benzotriazolylmethylthio)-8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-(benzotriazol-1-ylmethylsulfanyl)-8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(benzotriazol-1-ylmethylthio)-8-bromo-5-methyl-[1,2,4]triazin[5,6-b]indole Formula: C17H12BrN7S MolecularWeight: 426.29308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C3=C1N=C(N=N3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)C3=C1N=C(N=N3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C17H12BrN7S/c1-24-13-7-6-10(18)8-11(13)15-16(24)19-17(22-21-15)26-9-25-14-5-3-2-4-12(14)20-23-25/h2-8H,9H2,1H3