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

Systemtic Name: 2-(4-nitrophenoxy)-N-[5-(4-piperidin-1-ylbut-2-ynylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(4-nitrophenoxy)-N-[5-[4-(1-piperidyl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(4-nitrophenoxy)-N-[5-[4-(1-piperidinyl)but-2-ynylthio]-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(4-nitrophenoxy)-N-[5-(4-piperidin-1-ylbut-2-ynylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(4-nitrophenoxy)-N-[5-(4-piperidinobut-2-ynylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S2/c25-17(14-28-16-8-6-15(7-9-16)24(26)27)20-18-21-22-19(30-18)29-13-5-4-12-23-10-2-1-3-11-23/h6-9H,1-3,10-14H2,(H,20,21,25)