2-[(3-azanyl-1H-1,2,4-triazol-5-yl)sulfonyl]ethanenitrile

Systemtic Name: 2-[(3-azanyl-1H-1,2,4-triazol-5-yl)sulfonyl]ethanenitrile Openeye Name: 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]acetonitrile CAS Name: 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]acetonitrile IUPAC Name: 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]acetonitrile Traditional Name: 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]acetonitrile Formula: C4H5N5O2S MolecularWeight: 187.1798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C#N)S(=O)(=O)C1=NC(=NN1)N

Isomeric SMILES

C(C#N)S(=O)(=O)C1=NC(=NN1)N

InChI

InChI=1S/C4H5N5O2S/c5-1-2-12(10,11)4-7-3(6)8-9-4/h2H2,(H3,6,7,8,9)