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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[3-(3-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[3-(3-chlorophenyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[3-(3-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[3-(3-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[3-(3-chlorophenyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C20H21ClN5S2+ MolecularWeight: 430.99724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5S2/c1-3-25-19(14-7-6-8-15(21)11-14)23-26(20(25)27)13-24(2)12-18-22-16-9-4-5-10-17(16)28-18/h4-11H,3,12-13H2,1-2H3/p+1