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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]ammonium Formula: C17H17N6S2+ MolecularWeight: 369.48708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6S2/c1-21(11-16-18-14-9-5-6-10-15(14)25-16)12-22-17(24)23(20-19-22)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/p+1