2-(4-bromophenyl)-N-methyl-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

Systemtic Name: 2-(4-bromophenyl)-N-methyl-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide Openeye Name: 2-(4-bromophenyl)-N-methyl-4-(tetrahydrothiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide CAS Name: 2-(4-bromophenyl)-N-methyl-4-(3-thiolanylmethyl)-7-thieno[2,3-d]pyridazinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-methyl-4-(thiolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide Traditional Name: 2-(4-bromophenyl)-N-methyl-4-(tetrahydrothiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN=C(C2=C1SC(=C2)C3=CC=C(C=C3)Br)CC4CCSC4

Isomeric SMILES

CNC(=O)C1=NN=C(C2=C1SC(=C2)C3=CC=C(C=C3)Br)CC4CCSC4

InChI

InChI=1S/C19H18BrN3OS2/c1-21-19(24)17-18-14(15(22-23-17)8-11-6-7-25-10-11)9-16(26-18)12-2-4-13(20)5-3-12/h2-5,9,11H,6-8,10H2,1H3,(H,21,24)