4-(4-ethoxyphenyl)-3-heptadecyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-ethoxyphenyl)-3-heptadecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-ethoxyphenyl)-3-heptadecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-ethoxyphenyl)-3-heptadecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-ethoxyphenyl)-3-heptadecyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-heptadecyl-4-p-phenetyl-1H-1,2,4-triazole-5-thione Formula: C27H45N3OS MolecularWeight: 459.7307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=C(C=C2)OCC

InChI

InChI=1S/C27H45N3OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-28-29-27(32)30(26)24-20-22-25(23-21-24)31-4-2/h20-23H,3-19H2,1-2H3,(H,29,32)