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

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H15BrN4OS/c1-11(16(23)19-14-9-7-13(18)8-10-14)24-17-20-15(21-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,23)(H,20,21,22)/t11-/m1/s1