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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)ethanone Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H18BrN3OS/c1-2-12-24-19(13-15-6-4-3-5-7-15)22-23-20(24)26-14-18(25)16-8-10-17(21)11-9-16/h2-11H,1,12-14H2