N-[6-[4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]furan-2-carboxamide

Systemtic Name: N-[6-[4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]furan-2-carboxamide Openeye Name: N-[6-[4-(2,5-dimethoxyanilino)-4-oxo-butyl]sulfanylpyridazin-3-yl]furan-2-carboxamide CAS Name: N-[6-[[4-(2,5-dimethoxyanilino)-4-oxobutyl]thio]-3-pyridazinyl]-2-furancarboxamide IUPAC Name: N-[6-[4-(2,5-dimethoxyanilino)-4-oxobutyl]sulfanylpyridazin-3-yl]furan-2-carboxamide Traditional Name: N-[6-[[4-(2,5-dimethoxyanilino)-4-keto-butyl]thio]pyridazin-3-yl]-2-furamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H22N4O5S/c1-28-14-7-8-16(29-2)15(13-14)22-19(26)6-4-12-31-20-10-9-18(24-25-20)23-21(27)17-5-3-11-30-17/h3,5,7-11,13H,4,6,12H2,1-2H3,(H,22,26)(H,23,24,27)