(4-bromophenyl)methyl-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[[3-(2-ethoxy-2-oxo-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[[3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[[3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: (4-bromobenzyl)-[[3-(2-ethoxy-2-keto-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C16H22BrN4O2S+ MolecularWeight: 414.34048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C)C[NH+](C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C)C[NH+](C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN4O2S/c1-4-23-15(22)9-14-18-21(16(24)20(14)3)11-19(2)10-12-5-7-13(17)8-6-12/h5-8H,4,9-11H2,1-3H3/p+1