2-methylsulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-(methylthio)nicotinamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C16H17N5O2S/c1-24-16-12(3-2-6-18-16)15(23)20-11-4-5-13(19-9-11)21-8-7-17-14(22)10-21/h2-6,9H,7-8,10H2,1H3,(H,17,22)(H,20,23)