(2S)-3-azanyl-2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-3-enenitrile

Systemtic Name: (2S)-3-azanyl-2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-3-enenitrile Openeye Name: (2S)-3-amino-2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-3-enenitrile CAS Name: (2S)-3-amino-2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-butenenitrile IUPAC Name: (2S)-3-amino-2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-3-enenitrile Traditional Name: (2S)-3-amino-2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]but-3-enenitrile Formula: C8H10N6OS MolecularWeight: 238.2696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)CSC1=NNC(=N1)N)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)CSC1=NNC(=N1)N)N

InChI

InChI=1S/C8H10N6OS/c1-4(10)5(2-9)6(15)3-16-8-12-7(11)13-14-8/h5H,1,3,10H2,(H3,11,12,13,14)/t5-/m1/s1