2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-3,4-dihydronaphthalen-1-one

Systemtic Name: 2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]-3,4-dihydronaphthalen-1-one Openeye Name: 2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]tetralin-1-one CAS Name: 2-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]-3,4-dihydronaphthalen-1-one IUPAC Name: 2-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-3,4-dihydronaphthalen-1-one Traditional Name: 2-[3-nitro-4-(2-pyrimidylthio)benzylidene]tetralin-1-one Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C(=O)C4=CC=CC=C41

Isomeric SMILES

C1CC(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C(=O)C4=CC=CC=C41

InChI

InChI=1S/C21H15N3O3S/c25-20-16(8-7-15-4-1-2-5-17(15)20)12-14-6-9-19(18(13-14)24(26)27)28-21-22-10-3-11-23-21/h1-6,9-13H,7-8H2