2-[(4-chlorophenyl)methylsulfanyl]-4-[(E)-2-(furan-2-yl)ethenyl]-6-methyl-pyrimidine

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-[(E)-2-(furan-2-yl)ethenyl]-6-methyl-pyrimidine Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-[(E)-2-(2-furyl)vinyl]-6-methyl-pyrimidine CAS Name: 2-[(4-chlorophenyl)methylthio]-4-[(E)-2-(2-furanyl)ethenyl]-6-methylpyrimidine IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-[(E)-2-(furan-2-yl)ethenyl]-6-methylpyrimidine Traditional Name: 2-[(4-chlorobenzyl)thio]-4-[(E)-2-(2-furyl)vinyl]-6-methyl-pyrimidine Formula: C18H15ClN2OS MolecularWeight: 342.8425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C=CC2=CC=CO2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC(=NC(=C1)/C=C/C2=CC=CO2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2OS/c1-13-11-16(8-9-17-3-2-10-22-17)21-18(20-13)23-12-14-4-6-15(19)7-5-14/h2-11H,12H2,1H3/b9-8+