(4-nitrophenyl) 2-[(5-methylpyridin-2-yl)methylsulfanyl]thieno[3,4-d]imidazole-3-carboxylate

Systemtic Name: (4-nitrophenyl) 2-[(5-methylpyridin-2-yl)methylsulfanyl]thieno[3,4-d]imidazole-3-carboxylate Openeye Name: (4-nitrophenyl) 2-[(5-methyl-2-pyridyl)methylsulfanyl]thieno[3,4-d]imidazole-3-carboxylate CAS Name: 2-[(5-methyl-2-pyridinyl)methylthio]-3-thieno[3,4-d]imidazolecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[(5-methylpyridin-2-yl)methylsulfanyl]thieno[3,4-d]imidazole-3-carboxylate Traditional Name: 2-[(5-methyl-2-pyridyl)methylthio]thien[3,4-d]imidazole-3-carboxylic acid (4-nitrophenyl) ester Formula: C19H14N4O4S2 MolecularWeight: 426.46886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)CSC2=NC3=CSC=C3N2C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(C=C1)CSC2=NC3=CSC=C3N2C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O4S2/c1-12-2-3-13(20-8-12)9-29-18-21-16-10-28-11-17(16)22(18)19(24)27-15-6-4-14(5-7-15)23(25)26/h2-8,10-11H,9H2,1H3