2-[[5-(benzotriazol-1-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C19H17BrN6OS MolecularWeight: 457.34688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H17BrN6OS/c1-2-25-18(11-26-16-6-4-3-5-15(16)21-24-26)22-23-19(25)28-12-17(27)13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3