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

Systemtic Name: 2-[4-[(2-methyl-4-methylsulfanyl-6-propyl-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-methyl-4-methylsulfanyl-6-propyl-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-methyl-4-(methylthio)-6-propyl-5-pyrimidinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-methyl-4-methylsulfanyl-6-propylpyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[2-methyl-4-(methylthio)-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzonitrile Formula: C23H23N3S MolecularWeight: 373.51382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3S/c1-4-7-22-21(23(27-3)26-16(2)25-22)14-17-10-12-18(13-11-17)20-9-6-5-8-19(20)15-24/h5-6,8-13H,4,7,14H2,1-3H3