3-(3,5-dimethylpyrazol-1-yl)-6-[1-(3-nitrophenyl)ethylsulfanyl]pyridazine

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-6-[1-(3-nitrophenyl)ethylsulfanyl]pyridazine Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-6-[1-(3-nitrophenyl)ethylsulfanyl]pyridazine CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-6-[1-(3-nitrophenyl)ethylthio]pyridazine IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-6-[1-(3-nitrophenyl)ethylsulfanyl]pyridazine Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-6-[1-(3-nitrophenyl)ethylthio]pyridazine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SC(C)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SC(C)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N5O2S/c1-11-9-12(2)21(20-11)16-7-8-17(19-18-16)25-13(3)14-5-4-6-15(10-14)22(23)24/h4-10,13H,1-3H3