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

Systemtic Name: 3,5-dimethyl-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]pyrazole-1-carbothioamide Openeye Name: 3,5-dimethyl-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]pyrazole-1-carbothioamide CAS Name: 3,5-dimethyl-4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-1-pyrazolecarbothioamide IUPAC Name: 3,5-dimethyl-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]pyrazole-1-carbothioamide Traditional Name: 4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]-3,5-dimethyl-pyrazole-1-carbothioamide Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=S)N)C)NN=C2C=CC(=O)C=C2

Isomeric SMILES

CC1=C(C(=NN1C(=S)N)C)NN=C2C=CC(=O)C=C2

InChI

InChI=1S/C12H13N5OS/c1-7-11(8(2)17(16-7)12(13)19)15-14-9-3-5-10(18)6-4-9/h3-6,15H,1-2H3,(H2,13,19)