5-azanyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxamide

Systemtic Name: 5-azanyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxamide Openeye Name: 5-amino-N-[(E)-(4-methoxyphenyl)methyleneamino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxamide CAS Name: 5-amino-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxamide IUPAC Name: 5-amino-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxamide Traditional Name: 5-amino-4-keto-N-[(E)-p-anisylideneamino]-3-phenyl-thieno[3,4-d]pyridazine-1-carboxamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=C(SC=C32)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/NC(=O)C2=NN(C(=O)C3=C(SC=C32)N)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3S/c1-29-15-9-7-13(8-10-15)11-23-24-20(27)18-16-12-30-19(22)17(16)21(28)26(25-18)14-5-3-2-4-6-14/h2-12H,22H2,1H3,(H,24,27)/b23-11+