ethyl 6-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]nicotinic acid ethyl ester Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC2=NC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCNC1=NN=C(S1)SC2=NC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C14H18N4O2S2/c1-3-5-8-15-13-17-18-14(22-13)21-11-7-6-10(9-16-11)12(19)20-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,15,17)