3,5-dimethyl-4-[(2-nitrophenyl)diazenyl]pyrazole-1-carbothioamide

Systemtic Name: 3,5-dimethyl-4-[(2-nitrophenyl)diazenyl]pyrazole-1-carbothioamide Openeye Name: 3,5-dimethyl-4-(2-nitrophenyl)azo-pyrazole-1-carbothioamide CAS Name: 3,5-dimethyl-4-(2-nitrophenyl)azo-1-pyrazolecarbothioamide IUPAC Name: 3,5-dimethyl-4-[(2-nitrophenyl)diazenyl]pyrazole-1-carbothioamide Traditional Name: 3,5-dimethyl-4-(2-nitrophenyl)azo-pyrazole-1-carbothioamide Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=S)N)C)N=NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=S)N)C)N=NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O2S/c1-7-11(8(2)17(16-7)12(13)21)15-14-9-5-3-4-6-10(9)18(19)20/h3-6H,1-2H3,(H2,13,21)