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

Systemtic Name: N-[6-[4-oxidanylidene-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-oxo-4-(3-pyridylamino)butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide CAS Name: N-[6-[[4-oxo-4-(3-pyridinylamino)butyl]thio]-3-pyridazinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[[4-keto-4-(3-pyridylamino)butyl]thio]pyridazin-3-yl]thiophene-2-carboxamide Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H17N5O2S2/c24-16(20-13-4-1-9-19-12-13)6-3-11-27-17-8-7-15(22-23-17)21-18(25)14-5-2-10-26-14/h1-2,4-5,7-10,12H,3,6,11H2,(H,20,24)(H,21,22,25)