2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethanenitrile

Systemtic Name: 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethanenitrile Openeye Name: 2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetonitrile CAS Name: 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetonitrile IUPAC Name: 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetonitrile Traditional Name: 2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetonitrile Formula: C5H6N4S MolecularWeight: 154.19294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CC#N

Isomeric SMILES

CN1C(=NNC1=S)CC#N

InChI

InChI=1S/C5H6N4S/c1-9-4(2-3-6)7-8-5(9)10/h2H2,1H3,(H,8,10)