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

Systemtic Name: 4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile Openeye Name: 4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzonitrile CAS Name: 4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]benzonitrile IUPAC Name: 4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzonitrile Traditional Name: 4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]benzonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3OS/c1-2-3-11-8-13(18)17-14(16-11)19-12-6-4-10(9-15)5-7-12/h4-8H,2-3H2,1H3,(H,16,17,18)