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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(3-benzyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C21H24N5S2+ MolecularWeight: 410.57876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5S2/c1-3-25-19(13-16-9-5-4-6-10-16)23-26(21(25)27)15-24(2)14-20-22-17-11-7-8-12-18(17)28-20/h4-12H,3,13-15H2,1-2H3/p+1