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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN4OS/c1-2-10-26-20(14-6-5-7-15(22)11-14)24-25-21(26)28-13-19(27)17-12-23-18-9-4-3-8-16(17)18/h2-9,11-12,23H,1,10,13H2