2-(4-chloranylphenoxy)-N-[5-(4-piperidin-1-ylbut-2-ynylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[5-(4-piperidin-1-ylbut-2-ynylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(4-chlorophenoxy)-N-[5-[4-(1-piperidyl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(4-chlorophenoxy)-N-[5-[4-(1-piperidinyl)but-2-ynylthio]-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(4-chlorophenoxy)-N-[5-(4-piperidin-1-ylbut-2-ynylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(4-chlorophenoxy)-N-[5-(4-piperidinobut-2-ynylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C19H21ClN4O2S2 MolecularWeight: 436.97864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4O2S2/c20-15-6-8-16(9-7-15)26-14-17(25)21-18-22-23-19(28-18)27-13-5-4-12-24-10-2-1-3-11-24/h6-9H,1-3,10-14H2,(H,21,22,25)