2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-4-methyl-benzothiopheno[2,3-d]pyridazin-1-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-4-methyl-benzothiopheno[2,3-d]pyridazin-1-one Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C19H21N3O2S/c1-13-18-17(14-8-4-5-9-15(14)25-18)19(24)22(20-13)12-16(23)21-10-6-2-3-7-11-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3