2-[4-[(2-methylsulfanyl-4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-methylsulfanyl-4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-methylsulfanyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-(methylthio)-4-oxo-6-propyl-1H-pyrimidin-5-yl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-methylsulfanyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-keto-2-(methylthio)-6-propyl-1H-pyrimidin-5-yl]methyl]phenyl]benzonitrile Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)SC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H21N3OS/c1-3-6-20-19(21(26)25-22(24-20)27-2)13-15-9-11-16(12-10-15)18-8-5-4-7-17(18)14-23/h4-5,7-12H,3,6,13H2,1-2H3,(H,24,25,26)