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

Systemtic Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide Openeye Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide CAS Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-phenethylpropanamide IUPAC Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylpropanamide Traditional Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-phenethyl-propionamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-16(21(27)23-15-14-17-8-4-2-5-9-17)28-22-24-20(18-12-13-18)26(25-22)19-10-6-3-7-11-19/h2-11,16,18H,12-15H2,1H3,(H,23,27)/t16-/m1/s1