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

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-4-methyl-benzothiopheno[2,3-d]pyridazin-1-one CAS Name: 2-[1-(1-azepanyl)-1-oxopropan-2-yl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-4-methyl-benzothiopheno[2,3-d]pyridazin-1-one Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-13-18-17(15-9-5-6-10-16(15)26-18)20(25)23(21-13)14(2)19(24)22-11-7-3-4-8-12-22/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3