[3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-bromanylthiophen-2-yl)methyl]-methyl-azanium

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-bromanylthiophen-2-yl)methyl]-methyl-azanium Openeye Name: [3-(3-amino-3-oxo-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-bromo-2-thienyl)methyl]-methyl-ammonium CAS Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-bromo-2-thiophenyl)methyl]-methylammonium IUPAC Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-bromothiophen-2-yl)methyl]-methylazanium Traditional Name: [3-(3-amino-3-keto-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-bromo-2-thienyl)methyl]-methyl-ammonium Formula: C13H19BrN5OS2+ MolecularWeight: 405.35686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(S2)Br)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(S2)Br)CCC(=O)N

InChI

InChI=1S/C13H18BrN5OS2/c1-17(7-9-3-4-10(14)22-9)8-19-13(21)18(2)12(16-19)6-5-11(15)20/h3-4H,5-8H2,1-2H3,(H2,15,20)/p+1