3-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-4-(3-ethoxypropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-4-(3-ethoxypropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[5-[(4-tert-butylphenoxy)methyl]-2-furyl]-4-(3-ethoxypropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[5-[(4-tert-butylphenoxy)methyl]-2-furanyl]-4-(3-ethoxypropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-4-(3-ethoxypropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[5-[(4-tert-butylphenoxy)methyl]-2-furyl]-4-(3-ethoxypropyl)-1H-1,2,4-triazole-5-thione Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOCCCN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H29N3O3S/c1-5-26-14-6-13-25-20(23-24-21(25)29)19-12-11-18(28-19)15-27-17-9-7-16(8-10-17)22(2,3)4/h7-12H,5-6,13-15H2,1-4H3,(H,24,29)