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

Systemtic Name: 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-phenethylpropanamide IUPAC Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylpropanamide Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-phenethyl-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-16(19(26)22-14-12-17-8-4-2-5-9-17)28-21-24-23-20(27)25(21)15-13-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,22,26)(H,23,27)