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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[4-methyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C18H20N5S3+ MolecularWeight: 402.5799

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)CC4=CC=CS4

InChI

InChI=1S/C18H19N5S3/c1-21(11-17-19-14-7-3-4-8-15(14)26-17)12-23-18(24)22(2)16(20-23)10-13-6-5-9-25-13/h3-9H,10-12H2,1-2H3/p+1