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

Systemtic Name: 4-[[5-[(3-methoxyphenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-[(3-methoxyphenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[(3-methoxyphenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-[(3-methoxyphenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-keto-5-m-anisyl-1,4-dimethyl-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=C(C=C2)C#N)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

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