6-(4-tert-butylphenyl)-4-oxidanylidene-2-[(1S)-1-phenylethyl]sulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-tert-butylphenyl)-4-oxidanylidene-2-[(1S)-1-phenylethyl]sulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-tert-butylphenyl)-4-oxo-2-[(1S)-1-phenylethyl]sulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-tert-butylphenyl)-4-oxo-2-[[(1S)-1-phenylethyl]thio]-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-tert-butylphenyl)-4-oxo-2-[(1S)-1-phenylethyl]sulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-tert-butylphenyl)-4-keto-2-[[(1S)-1-phenylethyl]thio]-1H-pyrimidine-5-carbonitrile Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C23H23N3OS/c1-15(16-8-6-5-7-9-16)28-22-25-20(19(14-24)21(27)26-22)17-10-12-18(13-11-17)23(2,3)4/h5-13,15H,1-4H3,(H,25,26,27)/t15-/m0/s1