3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-(thiophen-2-ylmethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-(thiophen-2-ylmethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(2-thienylmethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(thiophen-2-ylmethyl)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(thiophen-2-ylmethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(2-thenyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C27H21N5O2S MolecularWeight: 479.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)NCC3=CC=CS3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NCC3=CC=CS3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H21N5O2S/c1-18-24(27(33)29-16-23-8-5-13-35-23)17-32-26(18)25(19(14-28)15-30-32)31-20-9-11-22(12-10-20)34-21-6-3-2-4-7-21/h2-13,15,17,31H,16H2,1H3,(H,29,33)