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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-2-phenylpropyl]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NN=C(N1C2CC2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)CSC1=NN=C(N1C2CC2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-15(16-6-3-2-4-7-16)12-23-19(27)14-28-21-25-24-20(26(21)18-9-10-18)17-8-5-11-22-13-17/h2-8,11,13,15,18H,9-10,12,14H2,1H3,(H,23,27)/t15-/m1/s1