N,N-diethyl-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N,N-diethyl-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N,N-diethyl-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N,N-diethyl-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N,N-diethyl-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N,N-diethyl-2-[[4-phenethyl-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:

CCN(CC)C(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=NC=C3

InChI

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