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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H25N5O2S MolecularWeight: 387.4991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C19H25N5O2S/c1-12(25)14-8-10-16(11-9-14)21-18(26)13(2)27-19-23-22-17(24(19)20)15-6-4-3-5-7-15/h8-11,13,15H,3-7,20H2,1-2H3,(H,21,26)