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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5S2/c1-23(13-19-21-16-10-6-7-11-17(16)27-19)14-25-20(26)24(2)18(22-25)12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3/p+1