2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(2S)-2-phenylpropyl]acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NN=C(N1N)C2CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)CSC1=NN=C(N1N)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-11(12-5-3-2-4-6-12)9-18-14(22)10-23-16-20-19-15(21(16)17)13-7-8-13/h2-6,11,13H,7-10,17H2,1H3,(H,18,22)/t11-/m1/s1