N-(4-methoxy-2-nitro-phenyl)-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-(2-naphthyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[4-(2-naphthalenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetamide Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c1-31-18-8-9-20(21(13-18)27(29)30)25-22(28)14-32-23-24-11-10-19(26-23)17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,14H2,1H3,(H,25,28)