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

Systemtic Name: 2-butyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 2-butyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 2-butyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 2-butyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 2-butyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CC2CCSC3=CC=CC=C3C2=N1

Isomeric SMILES

CCCCN1C(=O)CC2CCSC3=CC=CC=C3C2=N1

InChI

InChI=1S/C16H20N2OS/c1-2-3-9-18-15(19)11-12-8-10-20-14-7-5-4-6-13(14)16(12)17-18/h4-7,12H,2-3,8-11H2,1H3