N-[5-[4-(azocan-1-yl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[5-[4-(azocan-1-yl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[5-[4-(azocan-1-yl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenoxy-acetamide CAS Name: N-[5-[4-(1-azocanyl)but-2-ynylthio]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide IUPAC Name: N-[5-[4-(azocan-1-yl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide Traditional Name: N-[5-[4-(azocan-1-yl)but-2-ynylthio]-1,3,4-thiadiazol-2-yl]-2-phenoxy-acetamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S2/c26-19(17-27-18-11-5-4-6-12-18)22-20-23-24-21(29-20)28-16-10-9-15-25-13-7-2-1-3-8-14-25/h4-6,11-12H,1-3,7-8,13-17H2,(H,22,23,26)