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

Systemtic Name: 4-[(2-butylsulfanyl-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(2-butylsulfanyl-5-methyl-4-oxo-1H-pyrimidin-6-yl)methyl]benzonitrile CAS Name: 4-[[2-(butylthio)-5-methyl-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile IUPAC Name: 4-[(2-butylsulfanyl-5-methyl-4-oxo-1H-pyrimidin-6-yl)methyl]benzonitrile Traditional Name: 4-[[2-(butylthio)-4-keto-5-methyl-1H-pyrimidin-6-yl]methyl]benzonitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)CC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)CC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C17H19N3OS/c1-3-4-9-22-17-19-15(12(2)16(21)20-17)10-13-5-7-14(11-18)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,19,20,21)