methyl 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: methyl 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]nicotinic acid methyl ester Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN=C(S1)SC2=C(C=CC=N2)C(=O)OC

Isomeric SMILES

CC(C)(C)NC1=NN=C(S1)SC2=C(C=CC=N2)C(=O)OC

InChI

InChI=1S/C13H16N4O2S2/c1-13(2,3)15-11-16-17-12(21-11)20-9-8(10(18)19-4)6-5-7-14-9/h5-7H,1-4H3,(H,15,16)