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

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(1,3-dioxoisoindolin-2-yl)-1H-pyrazole-4-carbonitrile CAS Name: 5-(1,3-dioxo-2-isoindolyl)-3-(phenylmethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-(1,3-dioxoisoindol-2-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-phthalimido-1H-pyrazole-4-carbonitrile Formula: C19H12N4O2S MolecularWeight: 360.38918

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H12N4O2S/c20-10-15-16(21-22-17(15)26-11-12-6-2-1-3-7-12)23-18(24)13-8-4-5-9-14(13)19(23)25/h1-9H,11H2,(H,21,22)