2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(E)-2-(furan-2-yl)ethenyl]-6-methyl-pyrimidine

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(E)-2-(furan-2-yl)ethenyl]-6-methyl-pyrimidine Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(E)-2-(2-furyl)vinyl]-6-methyl-pyrimidine CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-4-[(E)-2-(2-furanyl)ethenyl]-6-methylpyrimidine IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(E)-2-(furan-2-yl)ethenyl]-6-methylpyrimidine Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-4-[(E)-2-(2-furyl)vinyl]-6-methyl-pyrimidine Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=CC(=N2)C)C=CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=CC(=N2)C)/C=C/C3=CC=CO3

InChI

InChI=1S/C20H20N2OS/c1-14-6-7-15(2)17(11-14)13-24-20-21-16(3)12-18(22-20)8-9-19-5-4-10-23-19/h4-12H,13H2,1-3H3/b9-8+