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

Systemtic Name: (E)-3-azanyl-2-[2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]but-2-enenitrile Formula: C12H12N6OS2 MolecularWeight: 320.39328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=C(N1N)C2=CC=CS2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=C(N1N)C2=CC=CS2)/N

InChI

InChI=1S/C12H12N6OS2/c1-7(14)8(5-13)9(19)6-21-12-17-16-11(18(12)15)10-3-2-4-20-10/h2-4H,6,14-15H2,1H3/b8-7+