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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C20H22N5S2+ MolecularWeight: 396.55218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N5S2/c1-14-8-4-5-9-15(14)19-22-25(20(26)24(19)3)13-23(2)12-18-21-16-10-6-7-11-17(16)27-18/h4-11H,12-13H2,1-3H3/p+1