N-(2-methylcyclohexyl)-2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanamide

Systemtic Name: N-(2-methylcyclohexyl)-2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanamide Openeye Name: N-(2-methylcyclohexyl)-2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)propanamide CAS Name: N-(2-methylcyclohexyl)-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanamide IUPAC Name: N-(2-methylcyclohexyl)-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanamide Traditional Name: 2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)-N-(2-methylcyclohexyl)propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

InChI

InChI=1S/C21H25N3O2S/c1-12-8-4-6-10-16(12)22-20(25)14(3)24-21(26)18-15-9-5-7-11-17(15)27-19(18)13(2)23-24/h5,7,9,11-12,14,16H,4,6,8,10H2,1-3H3,(H,22,25)