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

Systemtic Name: tert-butyl 2-[(5-methylpyridin-2-yl)methylsulfanyl]thieno[3,4-d]imidazole-3-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)CSC2=NC3=CSC=C3N2C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CN=C(C=C1)CSC2=NC3=CSC=C3N2C(=O)OC(C)(C)C

InChI

InChI=1S/C17H19N3O2S2/c1-11-5-6-12(18-7-11)8-24-15-19-13-9-23-10-14(13)20(15)16(21)22-17(2,3)4/h5-7,9-10H,8H2,1-4H3