4-[(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(2-isopropyl-6-methyl-pyrimidin-4-yl)thio]methyl]benzonitrile Formula: C16H17N3S MolecularWeight: 283.39128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H17N3S/c1-11(2)16-18-12(3)8-15(19-16)20-10-14-6-4-13(9-17)5-7-14/h4-8,11H,10H2,1-3H3