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

Systemtic Name: N-[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide Openeye Name: N-[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide CAS Name: N-[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethylpyrazole-4-carboxamide Traditional Name: N-[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide Formula: C18H26N6O3S2 MolecularWeight: 438.56744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H26N6O3S2/c1-3-24-11-13(16(22-24)27-4-2)15(26)19-17-20-21-18(29-17)28-12-14(25)23-9-7-5-6-8-10-23/h11H,3-10,12H2,1-2H3,(H,19,20,26)