4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidine

Systemtic Name: 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidine Openeye Name: 2-benzylsulfanyl-4-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-6-methyl-pyrimidine CAS Name: 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methyl-2-(phenylmethylthio)pyrimidine IUPAC Name: 2-benzylsulfanyl-4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylpyrimidine Traditional Name: 2-(benzylthio)-4-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-6-methyl-pyrimidine Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C=CC2=C(C(=CC=C2)OC)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1)/C=C/C2=C(C(=CC=C2)OC)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2S/c1-16-14-19(13-12-18-10-7-11-20(25-2)21(18)26-3)24-22(23-16)27-15-17-8-5-4-6-9-17/h4-14H,15H2,1-3H3/b13-12+