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

Systemtic Name: 2-[4-[(4-oxidanylidene-6-propyl-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-oxo-6-propyl-2-thioxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-oxo-6-propyl-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-oxo-6-propyl-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-keto-6-propyl-2-thioxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3OS/c1-2-5-19-18(20(25)24-21(26)23-19)12-14-8-10-15(11-9-14)17-7-4-3-6-16(17)13-22/h3-4,6-11H,2,5,12H2,1H3,(H2,23,24,25,26)