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

Systemtic Name: 1-(4-bromophenyl)-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3OS/c19-15-10-8-13(9-11-15)16(23)7-4-12-24-18-20-17(21-22-18)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2,(H,20,21,22)