5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-[(2-chlorophenyl)methylsulfanyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-[(2-chlorophenyl)methylsulfanyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(1,3-dioxoisoindolin-2-yl)-1H-pyrazole-4-carbonitrile CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(1,3-dioxo-2-isoindolyl)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(1,3-dioxoisoindol-2-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-[(2-chlorobenzyl)thio]-5-phthalimido-1H-pyrazole-4-carbonitrile Formula: C19H11ClN4O2S MolecularWeight: 394.83424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NNC(=C2C#N)N3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NNC(=C2C#N)N3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C19H11ClN4O2S/c20-15-8-4-1-5-11(15)10-27-17-14(9-21)16(22-23-17)24-18(25)12-6-2-3-7-13(12)19(24)26/h1-8H,10H2,(H,22,23)