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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-2-phenylpropyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(2R)-2-phenylpropyl]acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-2-phenylpropyl]acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(2R)-2-phenylpropyl]acetamide Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CNC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N6OS/c1-13(14-6-3-2-4-7-14)10-21-16(25)12-26-18-23-22-17(24(18)19)15-8-5-9-20-11-15/h2-9,11,13H,10,12,19H2,1H3,(H,21,25)/t13-/m0/s1