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

Systemtic Name: 4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]-2-(phenylmethylsulfanyl)pyrimidine Openeye Name: 2-benzylsulfanyl-4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidine CAS Name: 4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]-2-(phenylmethylthio)pyrimidine IUPAC Name: 2-benzylsulfanyl-4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidine Traditional Name: 2-(benzylthio)-4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidine Formula: C22H18N2S2 MolecularWeight: 374.52172

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2S2/c1-16-19-9-5-6-10-21(19)26-20(16)12-11-18-13-14-23-22(24-18)25-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3/b12-11+