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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C18H19N6S2+ MolecularWeight: 383.51366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6S2/c1-22(11-16-20-14-5-3-4-6-15(14)26-16)12-24-18(25)23(2)17(21-24)13-7-9-19-10-8-13/h3-10H,11-12H2,1-2H3/p+1