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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium Formula: C19H20N5S2+ MolecularWeight: 382.5256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N5S2/c1-13-7-9-14(10-8-13)18-21-19(25)24(22-18)12-23(2)11-17-20-15-5-3-4-6-16(15)26-17/h3-10H,11-12H2,1-2H3,(H,21,22,25)/p+1