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

Systemtic Name: 1-(4-bromophenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C24H20BrN3OS MolecularWeight: 478.4041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H20BrN3OS/c25-20-14-12-19(13-15-20)22(29)17-30-24-27-26-23(16-11-18-7-3-1-4-8-18)28(24)21-9-5-2-6-10-21/h1-10,12-15H,11,16-17H2