4-chloranyl-7-(3,5-dimethylpyrazol-1-yl)-2-(pyridin-3-ylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine

Systemtic Name: 4-chloranyl-7-(3,5-dimethylpyrazol-1-yl)-2-(pyridin-3-ylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine Openeye Name: 4-chloro-7-(3,5-dimethylpyrazol-1-yl)-2-(3-pyridylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine CAS Name: 4-chloro-7-(3,5-dimethyl-1-pyrazolyl)-2-(3-pyridinylmethylthio)-1H-imidazo[4,5-d]pyridazine IUPAC Name: 4-chloro-7-(3,5-dimethylpyrazol-1-yl)-2-(pyridin-3-ylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine Traditional Name: 4-chloro-7-(3,5-dimethylpyrazol-1-yl)-2-(3-pyridylmethylthio)-1H-imidazo[4,5-d]pyridazine Formula: C16H14ClN7S MolecularWeight: 371.84726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C3=C2NC(=N3)SCC4=CN=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C3=C2NC(=N3)SCC4=CN=CC=C4)Cl)C

InChI

InChI=1S/C16H14ClN7S/c1-9-6-10(2)24(23-9)15-13-12(14(17)21-22-15)19-16(20-13)25-8-11-4-3-5-18-7-11/h3-7H,8H2,1-2H3,(H,19,20)