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

Systemtic Name: 2-[4-[2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-[2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-[2-(3-methyl-1-benzothiophen-2-yl)ethenyl]-2-pyrimidinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-[2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4-[2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidin-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C23H18N4O3S2 MolecularWeight: 462.54402

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C=CC3=NC(=NC=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O3S2/c1-15-19-4-2-3-5-21(19)32-20(15)11-8-17-12-13-24-23(26-17)31-14-22(28)25-16-6-9-18(10-7-16)27(29)30/h2-13H,14H2,1H3,(H,25,28)