2,2-dimethyl-6-oxidanylidene-3-phenyl-4-sulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2,2-dimethyl-6-oxidanylidene-3-phenyl-4-sulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2,2-dimethyl-6-oxo-3-phenyl-4-sulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-mercapto-2,2-dimethyl-6-oxo-3-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2,2-dimethyl-6-oxo-3-phenyl-4-sulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2,2-dimethyl-3-phenyl-1H-pyrimidine-5-carbonitrile Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC(=O)C(=C(N1C2=CC=CC=C2)S)C#N)C

Isomeric SMILES

CC1(NC(=O)C(=C(N1C2=CC=CC=C2)S)C#N)C

InChI

InChI=1S/C13H13N3OS/c1-13(2)15-11(17)10(8-14)12(18)16(13)9-6-4-3-5-7-9/h3-7,18H,1-2H3,(H,15,17)