N-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide

Systemtic Name: N-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide Openeye Name: N-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide CAS Name: N-[5-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethylpyrazole-4-carboxamide Traditional Name: N-[5-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide Formula: C19H20N6O5S2 MolecularWeight: 476.5293

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N6O5S2/c1-3-25-8-12(17(24-25)28-4-2)16(27)21-18-22-23-19(32-18)31-9-15(26)20-11-5-6-13-14(7-11)30-10-29-13/h5-8H,3-4,9-10H2,1-2H3,(H,20,26)(H,21,22,27)