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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-2-phenylpropyl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]acetamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[(2R)-2-phenylpropyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-2-phenylpropyl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(2R)-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=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c1-15(16-5-3-2-4-6-16)13-23-19(27)14-28-21-25-24-20(26(21)18-7-8-18)17-9-11-22-12-10-17/h2-6,9-12,15,18H,7-8,13-14H2,1H3,(H,23,27)/t15-/m0/s1