2-[4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]-2-pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidin-2-yl]thio]-N-phenyl-acetamide Formula: C23H19N3OS2 MolecularWeight: 417.54646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C=CC3=NC(=NC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)/C=C/C3=NC(=NC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H19N3OS2/c1-16-19-9-5-6-10-21(19)29-20(16)12-11-18-13-14-24-23(26-18)28-15-22(27)25-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,27)/b12-11+