2-[3-(4-tert-butylphenyl)-4-(4-methylsulfanylphenyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile

Systemtic Name: 2-[3-(4-tert-butylphenyl)-4-(4-methylsulfanylphenyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[3-(4-tert-butylphenyl)-4-(4-methylsulfanylphenyl)-2,6-dioxo-pyrimidin-1-yl]acetonitrile CAS Name: 2-[3-(4-tert-butylphenyl)-4-[4-(methylthio)phenyl]-2,6-dioxo-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[3-(4-tert-butylphenyl)-4-(4-methylsulfanylphenyl)-2,6-dioxopyrimidin-1-yl]acetonitrile Traditional Name: 2-[3-(4-tert-butylphenyl)-2,6-diketo-4-[4-(methylthio)phenyl]pyrimidin-1-yl]acetonitrile Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=O)N(C2=O)CC#N)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=O)N(C2=O)CC#N)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H23N3O2S/c1-23(2,3)17-7-9-18(10-8-17)26-20(16-5-11-19(29-4)12-6-16)15-21(27)25(14-13-24)22(26)28/h5-12,15H,14H2,1-4H3