6-(4-tert-butylphenyl)-4-oxidanylidene-2-(2-phenoxyethylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-tert-butylphenyl)-4-oxidanylidene-2-(2-phenoxyethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-tert-butylphenyl)-4-oxo-2-(2-phenoxyethylsulfanyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-tert-butylphenyl)-4-oxo-2-(2-phenoxyethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-tert-butylphenyl)-4-oxo-2-(2-phenoxyethylsulfanyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-tert-butylphenyl)-4-keto-2-(2-phenoxyethylthio)-1H-pyrimidine-5-carbonitrile Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCOC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCOC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H23N3O2S/c1-23(2,3)17-11-9-16(10-12-17)20-19(15-24)21(27)26-22(25-20)29-14-13-28-18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,25,26,27)