2-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]-1,3-diketo-isoindoline-5-carboxylate Formula: C20H10ClN4O4S- MolecularWeight: 437.8358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NNC(=C2C#N)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NNC(=C2C#N)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-])Cl

InChI

InChI=1S/C20H11ClN4O4S/c21-15-4-2-1-3-11(15)9-30-17-14(8-22)16(23-24-17)25-18(26)12-6-5-10(20(28)29)7-13(12)19(25)27/h1-7H,9H2,(H,23,24)(H,28,29)/p-1