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

Systemtic Name: 2-[(Z)-1-chloranyl-2-(1-phenylpyrazol-4-yl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(1-phenyl-4-pyrazolyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H12ClN4O3S- MolecularWeight: 411.84158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CN(N=C3)C4=CC=CC=C4)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN4O3S/c1-10-14-17(25)22-16(23-18(14)28-15(10)19(26)27)13(20)7-11-8-21-24(9-11)12-5-3-2-4-6-12/h2-9H,1H3,(H,26,27)(H,22,23,25)/p-1/b13-7-