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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CCCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CCCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-15-21-20(17-10-5-6-11-18(17)28-21)22(27)25(24-15)13-7-12-19(26)23-14-16-8-3-2-4-9-16/h2-6,8-11H,7,12-14H2,1H3,(H,23,26)