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

Systemtic Name: 5-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(5-nitro-1,3-dioxo-isoindolin-2-yl)-1H-pyrazole-4-carbonitrile CAS Name: 5-(5-nitro-1,3-dioxo-2-isoindolyl)-3-(phenylmethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-(5-nitro-1,3-dioxoisoindol-2-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(1,3-diketo-5-nitro-isoindolin-2-yl)-1H-pyrazole-4-carbonitrile Formula: C19H11N5O4S MolecularWeight: 405.38674

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H11N5O4S/c20-9-15-16(21-22-17(15)29-10-11-4-2-1-3-5-11)23-18(25)13-7-6-12(24(27)28)8-14(13)19(23)26/h1-8H,10H2,(H,21,22)