2-[2-(4-ethylsulfonylphenyl)hexyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 2-[2-(4-ethylsulfonylphenyl)hexyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 2-[2-(4-ethylsulfonylphenyl)hexyl]-1,2,4-triazole-3-carbonitrile CAS Name: 2-[2-(4-ethylsulfonylphenyl)hexyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 2-[2-(4-ethylsulfonylphenyl)hexyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 2-[2-(4-esylphenyl)hexyl]-1,2,4-triazole-3-carbonitrile Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C(=NC=N1)C#N)C2=CC=C(C=C2)S(=O)(=O)CC

Isomeric SMILES

CCCCC(CN1C(=NC=N1)C#N)C2=CC=C(C=C2)S(=O)(=O)CC

InChI

InChI=1S/C17H22N4O2S/c1-3-5-6-15(12-21-17(11-18)19-13-20-21)14-7-9-16(10-8-14)24(22,23)4-2/h7-10,13,15H,3-6,12H2,1-2H3