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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(5-nitro-1,3-dioxo-isoindolin-2-yl)-1H-pyrazole-4-carbonitrile CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(5-nitro-1,3-dioxo-2-isoindolyl)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(5-nitro-1,3-dioxoisoindol-2-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-[(2-chlorobenzyl)thio]-5-(1,3-diketo-5-nitro-isoindolin-2-yl)-1H-pyrazole-4-carbonitrile Formula: C19H10ClN5O4S MolecularWeight: 439.8318

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H10ClN5O4S/c20-15-4-2-1-3-10(15)9-30-17-14(8-21)16(22-23-17)24-18(26)12-6-5-11(25(28)29)7-13(12)19(24)27/h1-7H,9H2,(H,22,23)