N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)thieno[2,3-c]pyridazine-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)thieno[2,3-c]pyridazine-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-thieno[2,3-c]pyridazine-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-3-thieno[2,3-c]pyridazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxothieno[2,3-c]pyridazine-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-1-methyl-thieno[2,3-c]pyridazine-3-carboxamide Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(S2)C#CCO)C(=O)C(=N1)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C=C(S2)C#CCO)C(=O)C(=N1)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O3S/c1-22-18-14(9-13(26-18)3-2-8-23)16(24)15(21-22)17(25)20-10-11-4-6-12(19)7-5-11/h4-7,9,23H,8,10H2,1H3,(H,20,25)