8,11-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one

Systemtic Name: 8,11-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 8,11-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 8,11-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 8,11-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 8,11-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=NNC(=O)CC3CCSC2=C(C=C1)C

Isomeric SMILES

CC1=C2C3=NNC(=O)CC3CCSC2=C(C=C1)C

InChI

InChI=1S/C14H16N2OS/c1-8-3-4-9(2)14-12(8)13-10(5-6-18-14)7-11(17)15-16-13/h3-4,10H,5-7H2,1-2H3,(H,15,17)