3-[[5-[(4-methoxyphenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-[(4-methoxyphenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-[(4-methoxyphenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-[(4-methoxyphenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-[(4-methoxyphenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[(6-keto-1,4-dimethyl-5-p-anisyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC(=C2)C#N)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC(=C2)C#N)C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21N3O2S/c1-15-20(12-16-7-9-19(27-3)10-8-16)21(26)25(2)22(24-15)28-14-18-6-4-5-17(11-18)13-23/h4-11H,12,14H2,1-3H3