2-phenyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-3-ium bromide

Systemtic Name: 2-phenyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-3-ium bromide Openeye Name: 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]thiazol-3-ium bromide CAS Name: 2-phenyl-4-[[(1-phenyl-5-tetrazolyl)thio]methyl]thiazol-3-ium bromide IUPAC Name: 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-3-ium bromide Traditional Name: 2-phenyl-4-[[(1-phenyltetrazol-5-yl)thio]methyl]thiazol-3-ium bromide Formula: C17H14BrN5S2 MolecularWeight: 432.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C(=CS2)CSC3=NN=NN3C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C(=CS2)CSC3=NN=NN3C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C17H13N5S2.BrH/c1-3-7-13(8-4-1)16-18-14(11-23-16)12-24-17-19-20-21-22(17)15-9-5-2-6-10-15;/h1-11H,12H2;1H