N-naphthalen-2-yl-3-nitro-4-pyrimidin-2-ylsulfanyl-benzamide

Systemtic Name: N-naphthalen-2-yl-3-nitro-4-pyrimidin-2-ylsulfanyl-benzamide Openeye Name: N-(2-naphthyl)-3-nitro-4-pyrimidin-2-ylsulfanyl-benzamide CAS Name: N-(2-naphthalenyl)-3-nitro-4-(2-pyrimidinylthio)benzamide IUPAC Name: N-naphthalen-2-yl-3-nitro-4-pyrimidin-2-ylsulfanylbenzamide Traditional Name: N-(2-naphthyl)-3-nitro-4-(2-pyrimidylthio)benzamide Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O3S/c26-20(24-17-8-6-14-4-1-2-5-15(14)12-17)16-7-9-19(18(13-16)25(27)28)29-21-22-10-3-11-23-21/h1-13H,(H,24,26)