2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: N-(2-isopropylpyrazol-3-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: N-(2-isopropylpyrazol-3-yl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H22N6O2S MolecularWeight: 386.47128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C18H22N6O2S/c1-13(2)24-15(8-10-19-24)20-16(25)12-27-18-22-21-17(26)23(18)11-9-14-6-4-3-5-7-14/h3-8,10,13H,9,11-12H2,1-2H3,(H,20,25)(H,21,26)