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

Systemtic Name: (4E)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-5-methyl-4-[(4-methyl-2-nitro-phenyl)hydrazinylidene]pyrazol-3-one Openeye Name: (4E)-2-(3-chlorobenzothiophene-2-carbonyl)-5-methyl-4-[(4-methyl-2-nitro-phenyl)hydrazono]pyrazol-3-one CAS Name: (4E)-2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-5-methyl-4-[(4-methyl-2-nitrophenyl)hydrazinylidene]-3-pyrazolone IUPAC Name: (4E)-2-(3-chloro-1-benzothiophene-2-carbonyl)-5-methyl-4-[(4-methyl-2-nitrophenyl)hydrazinylidene]pyrazol-3-one Traditional Name: (4E)-2-(3-chlorobenzothiophene-2-carbonyl)-5-methyl-4-[(4-methyl-2-nitro-phenyl)hydrazono]-2-pyrazolin-3-one Formula: C20H14ClN5O4S MolecularWeight: 455.87426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=NN(C2=O)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C/2\C(=NN(C2=O)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN5O4S/c1-10-7-8-13(14(9-10)26(29)30)22-23-17-11(2)24-25(19(17)27)20(28)18-16(21)12-5-3-4-6-15(12)31-18/h3-9,22H,1-2H3/b23-17+