(5-bromanylthiophen-2-yl)methyl-[(5,7-dimethyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-1-yl)methyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(5,7-dimethyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-1-yl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(5,7-dimethyl-2-thioxo-[1,2,4]triazolo[1,5-a]pyrimidin-1-yl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(5,7-dimethyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-1-yl)methyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(5,7-dimethyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-1-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[(5,7-dimethyl-2-thioxo-[1,2,4]triazolo[1,5-a]pyrimidin-1-yl)methyl]-methyl-ammonium Formula: C14H17BrN5S2+ MolecularWeight: 399.35228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=S)N(N12)C[NH+](C)CC3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=NC2=NC(=S)N(N12)C[NH+](C)CC3=CC=C(S3)Br)C

InChI

InChI=1S/C14H16BrN5S2/c1-9-6-10(2)20-13(16-9)17-14(21)19(20)8-18(3)7-11-4-5-12(15)22-11/h4-6H,7-8H2,1-3H3/p+1