2-[[5-(4-bromanylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(4-bromanylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-bromo-2-thienyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-bromo-2-thiophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-bromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-bromo-2-thienyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C10H9BrN4S2 MolecularWeight: 329.23926

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC#N)C2=CC(=CS2)Br

Isomeric SMILES

CCN1C(=NN=C1SCC#N)C2=CC(=CS2)Br

InChI

InChI=1S/C10H9BrN4S2/c1-2-15-9(8-5-7(11)6-17-8)13-14-10(15)16-4-3-12/h5-6H,2,4H2,1H3