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

Systemtic Name: (2S)-N-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(4-bromophenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(4-bromophenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H18BrN5OS MolecularWeight: 480.38022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H18BrN5OS/c1-15(21(29)25-18-9-7-17(23)8-10-18)30-22-27-26-20(16-11-13-24-14-12-16)28(22)19-5-3-2-4-6-19/h2-15H,1H3,(H,25,29)/t15-/m0/s1