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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-(4-propan-2-ylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[4-(4-isopropylphenyl)-5-thioxo-tetrazol-1-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-(4-propan-2-ylphenyl)-5-sulfanylidene-1-tetrazolyl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-(4-propan-2-ylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-p-cumenyl-5-thioxo-tetrazol-1-yl)methyl]ammonium Formula: C20H23N6S2+ MolecularWeight: 411.56682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N6S2/c1-14(2)15-8-10-16(11-9-15)26-20(27)25(22-23-26)13-24(3)12-19-21-17-6-4-5-7-18(17)28-19/h4-11,14H,12-13H2,1-3H3/p+1