ethyl 5-cyano-2-methyl-6-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]nicotinic acid ethyl ester Formula: C19H15N5O5S MolecularWeight: 425.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H15N5O5S/c1-3-28-19(25)15-8-13(9-20)18(21-11(15)2)30-10-16-22-23-17(29-16)12-4-6-14(7-5-12)24(26)27/h4-8H,3,10H2,1-2H3