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

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)propionamide Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCN1C=NN=C1S[C@H](C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN4OS/c1-3-4-5-10-21-11-18-20-16(21)23-12(2)15(22)19-14-8-6-13(17)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,22)/t12-/m1/s1