3-[(3-nitrophenyl)methylsulfanyl]-6-pyridin-3-yl-pyridazine

Systemtic Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-pyridin-3-yl-pyridazine Openeye Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-(3-pyridyl)pyridazine CAS Name: 3-[(3-nitrophenyl)methylthio]-6-(3-pyridinyl)pyridazine IUPAC Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine Traditional Name: 3-[(3-nitrobenzyl)thio]-6-(3-pyridyl)pyridazine Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NN=C(C=C2)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NN=C(C=C2)C3=CN=CC=C3

InChI

InChI=1S/C16H12N4O2S/c21-20(22)14-5-1-3-12(9-14)11-23-16-7-6-15(18-19-16)13-4-2-8-17-10-13/h1-10H,11H2