4-(3-morpholin-4-ium-4-ylpropyl)-3-[3-(naphthalen-1-yloxymethyl)phenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropyl)-3-[3-(naphthalen-1-yloxymethyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-morpholin-4-ium-4-ylpropyl)-3-[3-(1-naphthyloxymethyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[3-(4-morpholin-4-iumyl)propyl]-3-[3-(1-naphthalenyloxymethyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropyl)-3-[3-(naphthalen-1-yloxymethyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-morpholin-4-ium-4-ylpropyl)-3-[3-(1-naphthoxymethyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H28N4O2S/c33-26-28-27-25(30(26)13-5-12-29-14-16-31-17-15-29)22-9-3-6-20(18-22)19-32-24-11-4-8-21-7-1-2-10-23(21)24/h1-4,6-11,18H,5,12-17,19H2,(H,28,33)/p+1