2-[(4-tert-butyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4-tert-butyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-tert-butyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-tert-butyl-1-methyl-6-oxo-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-tert-butyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-tert-butyl-6-keto-1-methyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(C(=N1)SCC2=CC=CC=C2C#N)C

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(C(=N1)SCC2=CC=CC=C2C#N)C

InChI

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