2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-ethyl-amino]-N-ethyl-ethanamide

Systemtic Name: 2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-ethyl-amino]-N-ethyl-ethanamide Openeye Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethyl-amino]-N-ethyl-acetamide CAS Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-ethylamino]-N-ethylacetamide IUPAC Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-ethylacetamide Traditional Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-ethyl-amino]-N-ethyl-acetamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(CC)C(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)CN(CC)C(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2S/c1-3-23-19(28)15-26(4-2)20(29)16-30-22-24-21(17-11-7-5-8-12-17)27(25-22)18-13-9-6-10-14-18/h6,9-10,13-14,17H,3-5,7-8,11-12,15-16H2,1-2H3,(H,23,28)