6-cyclopropyl-2-methylsulfanyl-4-(3-oxidanylidenepiperazin-1-yl)carbonyl-pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-2-methylsulfanyl-4-(3-oxidanylidenepiperazin-1-yl)carbonyl-pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-methylsulfanyl-4-(3-oxopiperazine-1-carbonyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-(methylthio)-4-[oxo-(3-oxo-1-piperazinyl)methyl]-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-methylsulfanyl-4-(3-oxopiperazine-1-carbonyl)pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-4-(3-ketopiperazine-1-carbonyl)-2-(methylthio)nicotinonitrile Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)N3CCNC(=O)C3)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)N3CCNC(=O)C3)C#N

InChI

InChI=1S/C15H16N4O2S/c1-22-14-11(7-16)10(6-12(18-14)9-2-3-9)15(21)19-5-4-17-13(20)8-19/h6,9H,2-5,8H2,1H3,(H,17,20)