(2S)-2-methyl-3-(4-methylphenyl)-2-(2-methylprop-1-enyl)-6-oxidanylidene-4-sulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: (2S)-2-methyl-3-(4-methylphenyl)-2-(2-methylprop-1-enyl)-6-oxidanylidene-4-sulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: (2S)-2-methyl-2-(2-methylprop-1-enyl)-6-oxo-3-(p-tolyl)-4-sulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: (2S)-4-mercapto-2-methyl-3-(4-methylphenyl)-2-(2-methylprop-1-enyl)-6-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: (2S)-2-methyl-3-(4-methylphenyl)-2-(2-methylprop-1-enyl)-6-oxo-4-sulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: (2S)-6-keto-4-mercapto-2-methyl-2-(2-methylprop-1-enyl)-3-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=O)NC2(C)C=C(C)C)C#N)S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=O)N[C@]2(C)C=C(C)C)C#N)S

InChI

InChI=1S/C17H19N3OS/c1-11(2)9-17(4)19-15(21)14(10-18)16(22)20(17)13-7-5-12(3)6-8-13/h5-9,22H,1-4H3,(H,19,21)/t17-/m0/s1