(4E)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-5-methyl-4-[(4-nitrophenyl)hydrazinylidene]pyrazol-3-one

Systemtic Name: (4E)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-5-methyl-4-[(4-nitrophenyl)hydrazinylidene]pyrazol-3-one Openeye Name: (4E)-2-(3-chlorobenzothiophene-2-carbonyl)-5-methyl-4-[(4-nitrophenyl)hydrazono]pyrazol-3-one CAS Name: (4E)-2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-5-methyl-4-[(4-nitrophenyl)hydrazinylidene]-3-pyrazolone IUPAC Name: (4E)-2-(3-chloro-1-benzothiophene-2-carbonyl)-5-methyl-4-[(4-nitrophenyl)hydrazinylidene]pyrazol-3-one Traditional Name: (4E)-2-(3-chlorobenzothiophene-2-carbonyl)-5-methyl-4-[(4-nitrophenyl)hydrazono]-2-pyrazolin-3-one Formula: C19H12ClN5O4S MolecularWeight: 441.84768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H12ClN5O4S/c1-10-16(22-21-11-6-8-12(9-7-11)25(28)29)18(26)24(23-10)19(27)17-15(20)13-4-2-3-5-14(13)30-17/h2-9,21H,1H3/b22-16+