2-[5-(cyanomethylsulfanyl)-1,2,4-triazol-1-yl]ethanenitrile

Systemtic Name: 2-[5-(cyanomethylsulfanyl)-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[5-(cyanomethylsulfanyl)-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[5-(cyanomethylthio)-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[5-(cyanomethylsulfanyl)-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[5-(cyanomethylthio)-1,2,4-triazol-1-yl]acetonitrile Formula: C6H5N5S MolecularWeight: 179.2024

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C(=N1)SCC#N)CC#N

Isomeric SMILES

C1=NN(C(=N1)SCC#N)CC#N

InChI

InChI=1S/C6H5N5S/c7-1-3-11-6(9-5-10-11)12-4-2-8/h5H,3-4H2