1,3-benzothiazol-2-ylmethyl-[[5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[5-(2-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[5-(2-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-methyl-ammonium Formula: C18H17BrN5S2+ MolecularWeight: 447.39508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=S)N=C(N3)C4=CC=CC=C4Br

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=S)N=C(N3)C4=CC=CC=C4Br

InChI

InChI=1S/C18H16BrN5S2/c1-23(10-16-20-14-8-4-5-9-15(14)26-16)11-24-18(25)21-17(22-24)12-6-2-3-7-13(12)19/h2-9H,10-11H2,1H3,(H,21,22,25)/p+1