4-(7-ethyl-2-methyl-3-methylsulfonyl-pyrrolo[1,2-b]pyridazin-4-yl)benzenecarbonitrile

Systemtic Name: 4-(7-ethyl-2-methyl-3-methylsulfonyl-pyrrolo[1,2-b]pyridazin-4-yl)benzenecarbonitrile Openeye Name: 4-(7-ethyl-2-methyl-3-methylsulfonyl-pyrrolo[1,2-b]pyridazin-4-yl)benzonitrile CAS Name: 4-(7-ethyl-2-methyl-3-methylsulfonyl-4-pyrrolo[1,2-b]pyridazinyl)benzonitrile IUPAC Name: 4-(7-ethyl-2-methyl-3-methylsulfonylpyrrolo[1,2-b]pyridazin-4-yl)benzonitrile Traditional Name: 4-(7-ethyl-3-mesyl-2-methyl-pyrrolo[1,2-b]pyridazin-4-yl)benzonitrile Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C2N1N=C(C(=C2C3=CC=C(C=C3)C#N)S(=O)(=O)C)C

Isomeric SMILES

CCC1=CC=C2N1N=C(C(=C2C3=CC=C(C=C3)C#N)S(=O)(=O)C)C

InChI

InChI=1S/C18H17N3O2S/c1-4-15-9-10-16-17(14-7-5-13(11-19)6-8-14)18(24(3,22)23)12(2)20-21(15)16/h5-10H,4H2,1-3H3