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

Systemtic Name: (2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(3-acetylphenyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(3-acetylphenyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(3-acetylphenyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(3-acetylphenyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NN=C(N2N)C3CC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C16H19N5O2S/c1-9(22)12-4-3-5-13(8-12)18-15(23)10(2)24-16-20-19-14(21(16)17)11-6-7-11/h3-5,8,10-11H,6-7,17H2,1-2H3,(H,18,23)/t10-/m1/s1