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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C18H16BrN3OS/c1-2-12-7-9-13(10-8-12)16(23)11-24-18-20-17(21-22-18)14-5-3-4-6-15(14)19/h3-10H,2,11H2,1H3,(H,20,21,22)