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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/c1-12(25)15-9-6-10-16(11-15)21-18(26)13(2)27-19-23-22-17(24(19)20)14-7-4-3-5-8-14/h6,9-11,13-14H,3-5,7-8,20H2,1-2H3,(H,21,26)