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

Systemtic Name: 4-(3-morpholin-4-ylpropyl)-5-[3-(naphthalen-1-yloxymethyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-morpholinopropyl)-5-[3-(1-naphthyloxymethyl)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 4-[3-(4-morpholinyl)propyl]-5-[3-(1-naphthalenyloxymethyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-morpholin-4-ylpropyl)-5-[3-(naphthalen-1-yloxymethyl)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-morpholinopropyl)-5-[3-(1-naphthoxymethyl)phenyl]-1,2,4-triazole-3-thiolate Formula: C26H27N4O2S- MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C(=NN=C2[S-])C3=CC(=CC=C3)COC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1COCCN1CCCN2C(=NN=C2[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