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

Systemtic Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)COC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)COC4=CC=CC=C4

InChI

InChI=1S/C25H36N4O2S/c1-2-28-23(18-31-22-16-10-5-11-17-22)26-27-25(28)32-19-24(30)29(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h5,10-11,16-17,20-21H,2-4,6-9,12-15,18-19H2,1H3