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

Systemtic Name: N-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide CAS Name: N-[5-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide Traditional Name: N-[5-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Formula: C17H16N6O5S2 MolecularWeight: 448.47614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=C(C(=N1)OC)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N6O5S2/c1-23-6-10(15(22-23)26-2)14(25)19-16-20-21-17(30-16)29-7-13(24)18-9-3-4-11-12(5-9)28-8-27-11/h3-6H,7-8H2,1-2H3,(H,18,24)(H,19,20,25)