4-[[5-(4-bromophenyl)-1H-pyrazol-3-yl]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazole-1-carbothioamide

Systemtic Name: 4-[[5-(4-bromophenyl)-1H-pyrazol-3-yl]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 4-[[5-(4-bromophenyl)-1H-pyrazol-3-yl]hydrazono]-3-methyl-5-oxo-pyrazole-1-carbothioamide CAS Name: 4-[[5-(4-bromophenyl)-1H-pyrazol-3-yl]hydrazinylidene]-3-methyl-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 4-[[5-(4-bromophenyl)-1H-pyrazol-3-yl]hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide Traditional Name: 4-[[5-(4-bromophenyl)-1H-pyrazol-3-yl]hydrazono]-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C14H12BrN7OS MolecularWeight: 406.26038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=NNC(=C2)C3=CC=C(C=C3)Br)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1=NNC2=NNC(=C2)C3=CC=C(C=C3)Br)C(=S)N

InChI

InChI=1S/C14H12BrN7OS/c1-7-12(13(23)22(21-7)14(16)24)20-19-11-6-10(17-18-11)8-2-4-9(15)5-3-8/h2-6H,1H3,(H2,16,24)(H2,17,18,19)