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

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-bromanyl-2-methoxy-phenyl)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-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-bromo-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-bromo-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [3-(3-amino-3-keto-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-(5-bromo-2-methoxy-benzyl)-methyl-ammonium Formula: C16H23BrN5O2S+ MolecularWeight: 429.35512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC(=C2)Br)OC)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC(=C2)Br)OC)CCC(=O)N

InChI

InChI=1S/C16H22BrN5O2S/c1-20(9-11-8-12(17)4-5-13(11)24-3)10-22-16(25)21(2)15(19-22)7-6-14(18)23/h4-5,8H,6-7,9-10H2,1-3H3,(H2,18,23)/p+1