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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/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/h3,10H2,1H3,(H3,11,12,13,14)/b5-4+