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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N-phenethylpropanamide IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylpropanamide Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N-phenethyl-propionamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NNC(=N2)C3CC3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C16H20N4OS/c1-11(22-16-18-14(19-20-16)13-7-8-13)15(21)17-10-9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,21)(H,18,19,20)