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

Systemtic Name: N-(4-methoxyphenyl)-4-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide Openeye Name: N-(4-methoxyphenyl)-4-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)butanamide CAS Name: N-(4-methoxyphenyl)-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide IUPAC Name: N-(4-methoxyphenyl)-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide Traditional Name: 4-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)-N-(4-methoxyphenyl)butyramide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CCCC(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CCCC(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21N3O3S/c1-14-21-20(17-6-3-4-7-18(17)29-21)22(27)25(24-14)13-5-8-19(26)23-15-9-11-16(28-2)12-10-15/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,26)