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

Systemtic Name: (E)-3-azanyl-2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3)/N

InChI

InChI=1S/C20H23N5OS/c1-14(22)17(12-21)18(26)13-27-20-23-19(15-8-4-2-5-9-15)25(24-20)16-10-6-3-7-11-16/h3,6-7,10-11,15H,2,4-5,8-9,13,22H2,1H3/b17-14+