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

Systemtic Name: 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C10H9N5S MolecularWeight: 231.27696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCC#N

InChI

InChI=1S/C10H9N5S/c11-6-7-16-10-14-13-9(15(10)12)8-4-2-1-3-5-8/h1-5H,7,12H2