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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C11H9BrN4S MolecularWeight: 309.18496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#N)C2=CC=CC=C2Br

Isomeric SMILES

CN1C(=NN=C1SCC#N)C2=CC=CC=C2Br

InChI

InChI=1S/C11H9BrN4S/c1-16-10(8-4-2-3-5-9(8)12)14-15-11(16)17-7-6-13/h2-5H,7H2,1H3