1,3-benzothiazol-2-ylmethyl-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[4-(4-methoxyphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[4-(4-methoxyphenyl)-5-thioxo-tetrazol-1-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[4-(4-methoxyphenyl)-5-sulfanylidene-1-tetrazolyl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[4-(4-methoxyphenyl)-5-thioxo-tetrazol-1-yl]methyl]-methyl-ammonium Formula: C18H19N6OS2+ MolecularWeight: 399.51306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6OS2/c1-22(11-17-19-15-5-3-4-6-16(15)27-17)12-23-18(26)24(21-20-23)13-7-9-14(25-2)10-8-13/h3-10H,11-12H2,1-2H3/p+1