N-(2-methylpropylcarbamoyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(isobutylcarbamoyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methylpropylcarbamoyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(isobutylcarbamoyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H25N5O3S MolecularWeight: 391.4878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)SC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C(C)SC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C18H25N5O3S/c1-12(2)11-19-16(25)20-15(24)13(3)27-18-22-21-17(26)23(18)10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,21,26)(H2,19,20,24,25)