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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C4H5N5S MolecularWeight: 155.181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C#N)SC1=NNC(=N1)N

Isomeric SMILES

C(C#N)SC1=NNC(=N1)N

InChI

InChI=1S/C4H5N5S/c5-1-2-10-4-7-3(6)8-9-4/h2H2,(H3,6,7,8,9)