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

Systemtic Name: [3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(3-bromophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: [3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-(3-bromophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C18H20BrN4S+ MolecularWeight: 404.3472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4S/c1-21(12-14-7-4-3-5-8-14)13-23-18(24)22(2)17(20-23)15-9-6-10-16(19)11-15/h3-11H,12-13H2,1-2H3/p+1