2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)ethanamide

Systemtic Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)ethanamide Openeye Name: N,N-diisopropyl-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N,N-di(propan-2-yl)acetamide IUPAC Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide Traditional Name: N,N-diisopropyl-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)N(C(C)C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-15(2)25(16(3)4)19(27)14-28-21-24-23-20(17-10-12-22-13-11-17)26(21)18-8-6-5-7-9-18/h5-13,15-16H,14H2,1-4H3