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

Systemtic Name: 2-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one Openeye Name: 2-[4-(azepan-1-yl)-4-oxo-butyl]-4-methyl-benzothiopheno[2,3-d]pyridazin-1-one CAS Name: 2-[4-(1-azepanyl)-4-oxobutyl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one IUPAC Name: 2-[4-(azepan-1-yl)-4-oxobutyl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one Traditional Name: 2-[4-(azepan-1-yl)-4-keto-butyl]-4-methyl-benzothiopheno[2,3-d]pyridazin-1-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-15-20-19(16-9-4-5-10-17(16)27-20)21(26)24(22-15)14-8-11-18(25)23-12-6-2-3-7-13-23/h4-5,9-10H,2-3,6-8,11-14H2,1H3