N-(cyclohexylcarbamoyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C20H27N5O2S/c1-3-14-9-11-15(12-10-14)17-22-20(25-24-17)28-13(2)18(26)23-19(27)21-16-7-5-4-6-8-16/h9-13,16H,3-8H2,1-2H3,(H,22,24,25)(H2,21,23,26,27)