3-[[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 3-[[6-[(3,5-dimethylphenyl)thio]-5-ethyl-2,4-dioxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 3-[[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[6-[(3,5-dimethylphenyl)thio]-5-ethyl-2,4-diketo-pyrimidin-1-yl]methyl]benzonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CC2=CC=CC(=C2)C#N)SC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)CC2=CC=CC(=C2)C#N)SC3=CC(=CC(=C3)C)C

InChI

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