ethyl 1-oxidanidyl-6-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfinylmethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-oxidanidyl-6-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfinylmethyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-oxido-6-[[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]sulfinylmethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-oxido-6-[[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]sulfinylmethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-oxido-6-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfinylmethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-oxido-6-[[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]sulfinylmethyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C16H14N4O4S2 MolecularWeight: 390.43676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=C(C=C1)CS(=O)C2=NN=C(S2)C3=CN=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=C[N+](=C(C=C1)CS(=O)C2=NN=C(S2)C3=CN=CC=C3)[O-]

InChI

InChI=1S/C16H14N4O4S2/c1-2-24-15(21)12-5-6-13(20(22)9-12)10-26(23)16-19-18-14(25-16)11-4-3-7-17-8-11/h3-9H,2,10H2,1H3