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

Systemtic Name: (E)-3-azanyl-2-[2-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-amino-5-(2-fluorobenzyl)-1,2,4-triazol-3-yl]thio]acetyl]but-2-enenitrile Formula: C15H15FN6OS MolecularWeight: 346.382603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=C(N1N)CC2=CC=CC=C2F)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=C(N1N)CC2=CC=CC=C2F)/N

InChI

InChI=1S/C15H15FN6OS/c1-9(18)11(7-17)13(23)8-24-15-21-20-14(22(15)19)6-10-4-2-3-5-12(10)16/h2-5H,6,8,18-19H2,1H3/b11-9+