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

Systemtic Name: (2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[(4-allyl-5-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(N1CC=C)C2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NN=C(N1CC=C)C2=CC=CC=C2

InChI

InChI=1S/C17H22N4OS/c1-4-11-18-16(22)13(3)23-17-20-19-15(21(17)12-5-2)14-9-7-6-8-10-14/h5-10,13H,2,4,11-12H2,1,3H3,(H,18,22)/t13-/m0/s1