1-[3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C17H23N3O2S2 MolecularWeight: 365.51342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=C(C=CC(=C2)C(=O)C)OCC

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=C(C=CC(=C2)C(=O)C)OCC

InChI

InChI=1S/C17H23N3O2S2/c1-4-6-9-18-16-19-20-17(24-16)23-11-14-10-13(12(3)21)7-8-15(14)22-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,19)