5-(5-bromanylthiophen-2-yl)-N-butyl-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-amine

Systemtic Name: 5-(5-bromanylthiophen-2-yl)-N-butyl-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-amine Openeye Name: 5-(5-bromo-2-thienyl)-N-butyl-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-amine CAS Name: 5-(5-bromo-2-thiophenyl)-N-butyl-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-amine IUPAC Name: 5-(5-bromothiophen-2-yl)-N-butyl-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-amine Traditional Name: [5-(5-bromo-2-thienyl)-3-methyl-4H-1,3,4-thiadiazin-3-ium-2-yl]-butyl-amine Formula: C12H17BrN3S2+ MolecularWeight: 347.31748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[N+](NC(=CS1)C2=CC=C(S2)Br)C

Isomeric SMILES

CCCCNC1=[N+](NC(=CS1)C2=CC=C(S2)Br)C

InChI

InChI=1S/C12H16BrN3S2/c1-3-4-7-14-12-16(2)15-9(8-17-12)10-5-6-11(13)18-10/h5-6,8,15H,3-4,7H2,1-2H3/p+1