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

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H22BrN3OS MolecularWeight: 456.39858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3OS/c1-14(2)21-24-25-22(26(21)19-11-12-19)28-13-20(27)17-5-3-15(4-6-17)16-7-9-18(23)10-8-16/h3-10,14,19H,11-13H2,1-2H3