N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-5-thiophen-2-yl-1H-1,2,4-triazol-3-amine

Systemtic Name: N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-5-thiophen-2-yl-1H-1,2,4-triazol-3-amine Openeye Name: N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-5-(2-thienyl)-1H-1,2,4-triazol-3-amine CAS Name: N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-5-thiophen-2-yl-1H-1,2,4-triazol-3-amine IUPAC Name: N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-5-thiophen-2-yl-1H-1,2,4-triazol-3-amine Traditional Name: 3-[3-(piperidinomethyl)phenoxy]propyl-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]amine Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H27N5OS/c1-2-11-26(12-3-1)16-17-7-4-8-18(15-17)27-13-6-10-22-21-23-20(24-25-21)19-9-5-14-28-19/h4-5,7-9,14-15H,1-3,6,10-13,16H2,(H2,22,23,24,25)