(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide

Systemtic Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C14H15BrN4OS MolecularWeight: 367.2641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=NNC(=N1)C2=CC=CC=C2Br

Isomeric SMILES

C[C@H](C(=O)NCC=C)SC1=NNC(=N1)C2=CC=CC=C2Br

InChI

InChI=1S/C14H15BrN4OS/c1-3-8-16-13(20)9(2)21-14-17-12(18-19-14)10-6-4-5-7-11(10)15/h3-7,9H,1,8H2,2H3,(H,16,20)(H,17,18,19)/t9-/m1/s1