3-oxidanylidene-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazine-10-carbonitrile

Systemtic Name: 3-oxidanylidene-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazine-10-carbonitrile Openeye Name: 3-oxo-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazine-10-carbonitrile CAS Name: 3-oxo-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazine-10-carbonitrile IUPAC Name: 3-oxo-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazine-10-carbonitrile Traditional Name: 3-keto-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazine-10-carbonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C#N)C3=NNC(=O)CC31

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C#N)C3=NNC(=O)CC31

InChI

InChI=1S/C13H11N3OS/c14-7-8-1-2-11-10(5-8)13-9(3-4-18-11)6-12(17)15-16-13/h1-2,5,9H,3-4,6H2,(H,15,17)