N-[(2S)-5-methylhexan-2-yl]-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H31N5O2S/c1-16(2)9-10-17(3)22-19(27)15-29-21-24-23-20(25-11-13-28-14-12-25)26(21)18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3,(H,22,27)/t17-/m0/s1