ethyl 5-azanyl-4-cyano-3-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-[(2-oxo-1-pyrrolidinyl)methyl]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-[(2-ketopyrrolidino)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H21N7O3S2 MolecularWeight: 483.56654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

InChI

InChI=1S/C21H21N7O3S2/c1-2-31-20(30)18-14(13(10-22)19(23)33-18)12-32-21-26-25-16(11-27-9-5-7-17(27)29)28(21)15-6-3-4-8-24-15/h3-4,6,8H,2,5,7,9,11-12,23H2,1H3