[3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] thiophene-2-carboxylate

Systemtic Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] thiophene-2-carboxylate Openeye Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H24N4O3S3 MolecularWeight: 428.59246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=CS3)C)[O-]

Isomeric SMILES

CCCCCCSC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=CS3)C)[O-]

InChI

InChI=1S/C17H24N4O3S3/c1-3-4-5-6-9-26-17-19-18-16(27-17)21(23)12-20(2)11-14(21)24-15(22)13-8-7-10-25-13/h7-8,10,14H,3-6,9,11-12H2,1-2H3