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

Systemtic Name: N-(3-oxidanylpropyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-hydroxypropyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-hydroxypropyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-hydroxypropyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-hydroxypropyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H19N5O2S MolecularWeight: 369.44076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCO)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCO)C3=CC=NC=C3

InChI

InChI=1S/C18H19N5O2S/c24-12-4-9-20-16(25)13-26-18-22-21-17(14-7-10-19-11-8-14)23(18)15-5-2-1-3-6-15/h1-3,5-8,10-11,24H,4,9,12-13H2,(H,20,25)