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

Systemtic Name: 2-phenethyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 2-phenethyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 2-phenethyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 2-phenethyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 2-phenethyl-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:

C1CSC2=CC=CC=C2C3=NN(C(=O)CC31)CCC4=CC=CC=C4

Isomeric SMILES

C1CSC2=CC=CC=C2C3=NN(C(=O)CC31)CCC4=CC=CC=C4

InChI

InChI=1S/C20H20N2OS/c23-19-14-16-11-13-24-18-9-5-4-8-17(18)20(16)21-22(19)12-10-15-6-2-1-3-7-15/h1-9,16H,10-14H2