4-[(2Z)-2-(4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazole-2-carbothioamide

Systemtic Name: 4-[(2Z)-2-(4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazole-2-carbothioamide Openeye Name: 4-[(2Z)-2-(4-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide CAS Name: 4-[(2Z)-2-(4-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide IUPAC Name: 4-[(2Z)-2-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide Traditional Name: 5-keto-4-[(N'Z)-N'-(6-keto-4-methyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-(4-nitrophenyl)-3-pyrazoline-1-carbothioamide Formula: C17H14N6O4S MolecularWeight: 398.39586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=O)/C(=N\NC2=C(NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])/C=C1

InChI

InChI=1S/C17H14N6O4S/c1-9-2-7-12(13(24)8-9)19-20-15-14(21-22(16(15)25)17(18)28)10-3-5-11(6-4-10)23(26)27/h2-8,20-21H,1H3,(H2,18,28)/b19-12-