2-(4-chlorophenyl)-4-(1,2-oxathiin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-4-(1,2-oxathiin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide Openeye Name: 2-(4-chlorophenyl)-4-(oxathiin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide CAS Name: 2-(4-chlorophenyl)-4-(3-oxathiinylmethyl)-7-thieno[2,3-d]pyridazinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-4-(oxathiin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide Traditional Name: 2-(4-chlorophenyl)-4-(oxathiin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide Formula: C18H12ClN3O2S2 MolecularWeight: 401.88978

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Descriptors Computed from Structure

Canonical SMILES:

C1=COSC(=C1)CC2=NN=C(C3=C2C=C(S3)C4=CC=C(C=C4)Cl)C(=O)N

Isomeric SMILES

C1=COSC(=C1)CC2=NN=C(C3=C2C=C(S3)C4=CC=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C18H12ClN3O2S2/c19-11-5-3-10(4-6-11)15-9-13-14(8-12-2-1-7-24-26-12)21-22-16(18(20)23)17(13)25-15/h1-7,9H,8H2,(H2,20,23)