N3-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: N3-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine Openeye Name: N3-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine CAS Name: N3-[3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 3-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine Traditional Name: (4-amino-1,2,5-thiadiazol-3-yl)-[3-[3-(pyrrolidinomethyl)phenoxy]propyl]amine Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)OCCCNC3=NSN=C3N

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)OCCCNC3=NSN=C3N

InChI

InChI=1S/C16H23N5OS/c17-15-16(20-23-19-15)18-7-4-10-22-14-6-3-5-13(11-14)12-21-8-1-2-9-21/h3,5-6,11H,1-2,4,7-10,12H2,(H2,17,19)(H,18,20)