2-[(4-fluorophenyl)methylsulfanyl]-4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidine

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidine Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidine CAS Name: 2-[(4-fluorophenyl)methylthio]-4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidine IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidine Traditional Name: 2-[(4-fluorobenzyl)thio]-4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidine Formula: C22H17FN2S2 MolecularWeight: 392.512183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C=CC3=NC(=NC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)/C=C/C3=NC(=NC=C3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2S2/c1-15-19-4-2-3-5-21(19)27-20(15)11-10-18-12-13-24-22(25-18)26-14-16-6-8-17(23)9-7-16/h2-13H,14H2,1H3/b11-10+