N-[6-[4-[(2-methoxyphenyl)methylamino]-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[4-[(2-methoxyphenyl)methylamino]-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[(2-methoxyphenyl)methylamino]-4-oxo-butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide CAS Name: N-[6-[[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]thio]-3-pyridazinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[[4-keto-4-(o-anisylamino)butyl]thio]pyridazin-3-yl]thiophene-2-carboxamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N4O3S2/c1-28-16-7-3-2-6-15(16)14-22-19(26)9-5-13-30-20-11-10-18(24-25-20)23-21(27)17-8-4-12-29-17/h2-4,6-8,10-12H,5,9,13-14H2,1H3,(H,22,26)(H,23,24,27)