1-(4-bromophenyl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3OS/c1-2-24-19(16-7-4-3-5-8-16)22-23-20(24)26-14-6-9-18(25)15-10-12-17(21)13-11-15/h3-5,7-8,10-13H,2,6,9,14H2,1H3