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

Systemtic Name: 2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Formula: C18H16N2OS MolecularWeight: 308.39744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C3=NN(C(=O)CC31)C4=CC=CC=C4

Isomeric SMILES

C1CSC2=CC=CC=C2C3=NN(C(=O)CC31)C4=CC=CC=C4

InChI

InChI=1S/C18H16N2OS/c21-17-12-13-10-11-22-16-9-5-4-8-15(16)18(13)19-20(17)14-6-2-1-3-7-14/h1-9,13H,10-12H2