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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

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