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

Systemtic Name: 2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-phenethyl-butanamide Openeye Name: 2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)-N-phenethyl-butanamide CAS Name: 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-phenethylbutanamide IUPAC Name: 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-phenethylbutanamide Traditional Name: 2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)-N-phenethyl-butyramide Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC=CC=C1)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

Isomeric SMILES

CCC(C(=O)NCCC1=CC=CC=C1)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

InChI

InChI=1S/C23H23N3O2S/c1-3-18(22(27)24-14-13-16-9-5-4-6-10-16)26-23(28)20-17-11-7-8-12-19(17)29-21(20)15(2)25-26/h4-12,18H,3,13-14H2,1-2H3,(H,24,27)