N'-[(3-chloranyl-5-methyl-1-phenyl-pyrazol-1-ium-4-ylidene)methyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanehydrazide

Systemtic Name: N'-[(3-chloranyl-5-methyl-1-phenyl-pyrazol-1-ium-4-ylidene)methyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanehydrazide Openeye Name: N'-[(3-chloro-5-methyl-1-phenyl-pyrazol-1-ium-4-ylidene)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetohydrazide CAS Name: N'-[(3-chloro-5-methyl-1-phenyl-4-pyrazol-1-iumylidene)methyl]-2-[(4-nitrophenyl)methylthio]acetohydrazide IUPAC Name: N'-[(3-chloro-5-methyl-1-phenylpyrazol-1-ium-4-ylidene)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetohydrazide Traditional Name: N'-[(3-chloro-5-methyl-1-phenyl-pyrazol-1-ium-4-ylidene)methyl]-2-[(4-nitrobenzyl)thio]acetohydrazide Formula: C20H19ClN5O3S+ MolecularWeight: 444.91456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N=C(C1=CNNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=[N+](N=C(C1=CNNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClN5O3S/c1-14-18(20(21)24-25(14)16-5-3-2-4-6-16)11-22-23-19(27)13-30-12-15-7-9-17(10-8-15)26(28)29/h2-11H,12-13H2,1H3,(H,23,27)/p+1