4-(3,5-dimethylpyrazol-1-yl)-2-[(2-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-2-[(2-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-2-[(2-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-2-[(2-nitrophenyl)methylthio]-1H-imidazo[4,5-d]pyridazine IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-2-[(2-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-2-[(2-nitrobenzyl)thio]-1H-imidazo[4,5-d]pyridazine Formula: C17H15N7O2S MolecularWeight: 381.4117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C3C(=CN=N2)NC(=N3)SCC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C3C(=CN=N2)NC(=N3)SCC4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C17H15N7O2S/c1-10-7-11(2)23(22-10)16-15-13(8-18-21-16)19-17(20-15)27-9-12-5-3-4-6-14(12)24(25)26/h3-8H,9H2,1-2H3,(H,19,20)