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

Systemtic Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-propyl-propionamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-3-11-18-16(22)12(2)23-17-19-15(13-9-10-13)21(20-17)14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,18,22)/t12-/m0/s1