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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidine Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidine CAS Name: 2-[(3-chlorophenyl)methylthio]-4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidine IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidine Traditional Name: 2-[(3-chlorobenzyl)thio]-4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidine Formula: C22H17ClN2S2 MolecularWeight: 408.96678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2S2/c1-15-19-7-2-3-8-21(19)27-20(15)10-9-18-11-12-24-22(25-18)26-14-16-5-4-6-17(23)13-16/h2-13H,14H2,1H3/b10-9+