N-[6-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]propanamide

Systemtic Name: N-[6-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]propanamide Openeye Name: N-[6-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridazin-3-yl]propanamide CAS Name: N-[6-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridazinyl]propanamide IUPAC Name: N-[6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide Traditional Name: N-[6-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]pyridazin-3-yl]propionamide Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NN=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(=O)NC1=NN=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16N4O4S/c1-2-14(21)18-13-5-6-16(20-19-13)25-8-15(22)17-10-3-4-11-12(7-10)24-9-23-11/h3-7H,2,8-9H2,1H3,(H,17,22)(H,18,19,21)