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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C10H7BrN4S MolecularWeight: 295.15838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)SCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)SCC#N)Br

InChI

InChI=1S/C10H7BrN4S/c11-8-3-1-7(2-4-8)9-13-10(15-14-9)16-6-5-12/h1-4H,6H2,(H,13,14,15)