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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C20H22N5OS2+ MolecularWeight: 412.55158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS2/c1-23(12-18-21-16-6-4-5-7-17(16)28-18)13-25-20(27)24(2)19(22-25)14-8-10-15(26-3)11-9-14/h4-11H,12-13H2,1-3H3/p+1