N-(2,6-diethylphenyl)-2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[[4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=CN2C3=CN=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=CN2C3=CN=CC=C3

InChI

InChI=1S/C19H21N5OS/c1-3-14-7-5-8-15(4-2)18(14)22-17(25)12-26-19-23-21-13-24(19)16-9-6-10-20-11-16/h5-11,13H,3-4,12H2,1-2H3,(H,22,25)