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

Systemtic Name: ethyl 6-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyridine-3-carboxylate CAS Name: 6-[[[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carboxylate Traditional Name: 6-[[[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]thio]methyl]nicotinic acid ethyl ester Formula: C16H14N4O2S2 MolecularWeight: 358.43796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)CSC2=NN=C(S2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)CSC2=NN=C(S2)C3=CN=CC=C3

InChI

InChI=1S/C16H14N4O2S2/c1-2-22-15(21)12-5-6-13(18-9-12)10-23-16-20-19-14(24-16)11-4-3-7-17-8-11/h3-9H,2,10H2,1H3