azane; 2-methylsulfanyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole

Systemtic Name: azane; 2-methylsulfanyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole Openeye Name: ammonia; 2-methylsulfanyl-5-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,3,4-thiadiazole CAS Name: ammonia; 2-(methylthio)-5-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,3,4-thiadiazole IUPAC Name: azane; 2-methylsulfanyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole Traditional Name: ammonia; 2-(methylthio)-5-[3-[3-(piperidinomethyl)phenoxy]propyl]-1,3,4-thiadiazole Formula: C18H28N4OS2 MolecularWeight: 380.57112

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)CCCOC2=CC=CC(=C2)CN3CCCCC3.N

Isomeric SMILES

CSC1=NN=C(S1)CCCOC2=CC=CC(=C2)CN3CCCCC3.N

InChI

InChI=1S/C18H25N3OS2.H3N/c1-23-18-20-19-17(24-18)9-6-12-22-16-8-5-7-15(13-16)14-21-10-3-2-4-11-21;/h5,7-8,13H,2-4,6,9-12,14H2,1H3;1H3