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

Systemtic Name: (4-bromophenyl)methyl-methyl-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: (3-benzyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-bromophenyl)methyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-methyl-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (3-benzyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-bromophenyl)methyl]-methylazanium Traditional Name: (3-benzyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-bromobenzyl)-methyl-ammonium Formula: C19H22BrN4S+ MolecularWeight: 418.37378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C19H21BrN4S/c1-22(13-16-8-10-17(20)11-9-16)14-24-19(25)23(2)18(21-24)12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3/p+1