5-(4-nitrophenyl)-3-oxidanylidene-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-1H-pyrazole-2-carbothioamide

Systemtic Name: 5-(4-nitrophenyl)-3-oxidanylidene-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-1H-pyrazole-2-carbothioamide Openeye Name: 5-(4-nitrophenyl)-3-oxo-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]-1H-pyrazole-2-carbothioamide CAS Name: 5-(4-nitrophenyl)-3-oxo-4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-1H-pyrazole-2-carbothioamide IUPAC Name: 5-(4-nitrophenyl)-3-oxo-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-1H-pyrazole-2-carbothioamide Traditional Name: 5-keto-4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]-3-(4-nitrophenyl)-3-pyrazoline-1-carbothioamide Formula: C16H12N6O4S MolecularWeight: 384.36928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N6O4S/c17-16(27)21-15(24)14(19-18-10-3-7-12(23)8-4-10)13(20-21)9-1-5-11(6-2-9)22(25)26/h1-8,19-20H,(H2,17,27)