3-(3-ethoxyphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-ethoxyphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-ethoxyphenyl)-4-[(E)-(4-pentoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-ethoxyphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-ethoxyphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-amoxybenzylidene)amino]-3-m-phenetyl-1H-1,2,4-triazole-5-thione Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=CC=C3)OCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)OCC

InChI

InChI=1S/C22H26N4O2S/c1-3-5-6-14-28-19-12-10-17(11-13-19)16-23-26-21(24-25-22(26)29)18-8-7-9-20(15-18)27-4-2/h7-13,15-16H,3-6,14H2,1-2H3,(H,25,29)/b23-16+