4-[[1-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[1-(2,6-diethylphenyl)-4,6-dioxo-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[1-(2,6-diethylphenyl)-4,6-dioxo-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[1-(2,6-diethylphenyl)-4,6-dioxopyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[1-(2,6-diethylphenyl)-4,6-diketo-pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)CC(=O)N=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)CC(=O)N=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O2S/c1-3-17-6-5-7-18(4-2)21(17)25-20(27)12-19(26)24-22(25)28-14-16-10-8-15(13-23)9-11-16/h5-11H,3-4,12,14H2,1-2H3