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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC(=CC=C3)Br

InChI

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