2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H14ClN4O3S- MolecularWeight: 425.86816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C=C/C3=C(N(N=C3C)C4=CC=CC=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C20H15ClN4O3S/c1-10-15-18(26)22-14(23-19(15)29-16(10)20(27)28)9-8-13-11(2)24-25(17(13)21)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,27,28)(H,22,23,26)/p-1/b9-8+