1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-bromophenyl)phenyl]-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(4-bromophenyl)phenyl]-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-bromophenyl)phenyl]-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H19BrN4OS MolecularWeight: 491.40286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br)C5=CN=CC=C5

InChI

InChI=1S/C24H19BrN4OS/c25-20-9-7-17(8-10-20)16-3-5-18(6-4-16)22(30)15-31-24-28-27-23(29(24)21-11-12-21)19-2-1-13-26-14-19/h1-10,13-14,21H,11-12,15H2