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

Systemtic Name: N-cyclohexyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-cyclohexyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-cyclohexyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-cyclohexyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-cyclohexyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)COC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-3-24-18(14-26-17-12-8-5-9-13-17)22-23-20(24)27-15(2)19(25)21-16-10-6-4-7-11-16/h5,8-9,12-13,15-16H,3-4,6-7,10-11,14H2,1-2H3,(H,21,25)