8,10-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one

Systemtic Name: 8,10-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 8,10-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 8,10-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 8,10-dimethyl-4,4a,5,6-tetrahydro-2H-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 8,10-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=CC(=C2C(=C1)C3=NNC(=O)CC3CCS2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C3=NNC(=O)CC3CCS2)C

InChI

InChI=1S/C14H16N2OS/c1-8-5-9(2)14-11(6-8)13-10(3-4-18-14)7-12(17)15-16-13/h5-6,10H,3-4,7H2,1-2H3,(H,15,17)