methyl 4-[4-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[4-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[4-(2-benzyl-5-tert-butyl-pyrazol-3-yl)thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[4-[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-2-thiazolyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(2-benzyl-5-tert-butylpyrazol-3-yl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[4-(2-benzyl-5-tert-butyl-pyrazol-3-yl)thiazol-2-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C24H25N3O2S3 MolecularWeight: 483.6692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C2=CSC(=N2)C3=C(SC(=C3)C(=O)OC)SC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C2=CSC(=N2)C3=C(SC(=C3)C(=O)OC)SC)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S3/c1-24(2,3)20-12-18(27(26-20)13-15-9-7-6-8-10-15)17-14-31-21(25-17)16-11-19(22(28)29-4)32-23(16)30-5/h6-12,14H,13H2,1-5H3