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

Systemtic Name: 8,11-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 8,11-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 8,11-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 8,11-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 8,11-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=NN(C(=O)CC3CCSC2=C(C=C1)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C3=NN(C(=O)CC3CCSC2=C(C=C1)C)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2OS/c1-13-8-9-14(2)20-18(13)19-15(10-11-24-20)12-17(23)22(21-19)16-6-4-3-5-7-16/h3-9,15H,10-12H2,1-2H3