N-(4-butylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)COC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)COC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-3-5-9-18-12-14-19(15-13-18)24-22(28)17-30-23-26-25-21(27(23)4-2)16-29-20-10-7-6-8-11-20/h6-8,10-15H,3-5,9,16-17H2,1-2H3,(H,24,28)