3-(1,3-benzodioxol-5-yl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine Openeye Name: 3-(1,3-benzodioxol-5-yl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine CAS Name: 3-(1,3-benzodioxol-5-yl)-6-[(4-nitrophenyl)methylthio]pyridazine IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-[(4-nitrobenzyl)thio]pyridazine Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S/c22-21(23)14-4-1-12(2-5-14)10-26-18-8-6-15(19-20-18)13-3-7-16-17(9-13)25-11-24-16/h1-9H,10-11H2