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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H21BrN4O2S MolecularWeight: 521.42884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN4O2S/c1-16(31)18-10-14-21(15-11-18)27-24(32)17(2)33-25-29-28-23(19-8-12-20(26)13-9-19)30(25)22-6-4-3-5-7-22/h3-15,17H,1-2H3,(H,27,32)