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

Systemtic Name: 2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(1-phenylethyl)propanamide Openeye Name: 2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)-N-(1-phenylethyl)propanamide CAS Name: 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(1-phenylethyl)propanamide IUPAC Name: 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(1-phenylethyl)propanamide Traditional Name: 2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)-N-(1-phenylethyl)propionamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)C(C)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)C(C)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-13(16-9-5-4-6-10-16)23-21(26)15(3)25-22(27)19-17-11-7-8-12-18(17)28-20(19)14(2)24-25/h4-13,15H,1-3H3,(H,23,26)