2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile CAS Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-4-pyridinecarbonitrile IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carbonitrile Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]isonicotinonitrile Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=NC=CC(=C2)C#N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=NC=CC(=C2)C#N

InChI

InChI=1S/C13H12N4OS/c1-2-3-10-7-11(18)17-13(16-10)19-12-6-9(8-14)4-5-15-12/h4-7H,2-3H2,1H3,(H,16,17,18)