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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[4-ethyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[4-ethyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H24N5OS2+ MolecularWeight: 426.57816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H23N5OS2/c1-4-25-20(15-9-11-16(27-3)12-10-15)23-26(21(25)28)14-24(2)13-19-22-17-7-5-6-8-18(17)29-19/h5-12H,4,13-14H2,1-3H3/p+1