5-thiocyanatopentyl pyridine-3-carboxylate

Systemtic Name: 5-thiocyanatopentyl pyridine-3-carboxylate Openeye Name: 5-thiocyanatopentyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 5-thiocyanatopentyl ester IUPAC Name: 5-thiocyanatopentyl pyridine-3-carboxylate Traditional Name: nicotinic acid 5-thiocyanatopentyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCCCCCSC#N

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCCCCCSC#N

InChI

InChI=1S/C12H14N2O2S/c13-10-17-8-3-1-2-7-16-12(15)11-5-4-6-14-9-11/h4-6,9H,1-3,7-8H2