3-methyl-5-oxidanylidene-4-[[2,4,6-tris(bromanyl)phenyl]diazenyl]-4H-pyrazole-1-carbothioamide

Systemtic Name: 3-methyl-5-oxidanylidene-4-[[2,4,6-tris(bromanyl)phenyl]diazenyl]-4H-pyrazole-1-carbothioamide Openeye Name: 3-methyl-5-oxo-4-(2,4,6-tribromophenyl)azo-4H-pyrazole-1-carbothioamide CAS Name: 3-methyl-5-oxo-4-(2,4,6-tribromophenyl)azo-4H-pyrazole-1-carbothioamide IUPAC Name: 3-methyl-5-oxo-4-[(2,4,6-tribromophenyl)diazenyl]-4H-pyrazole-1-carbothioamide Traditional Name: 5-keto-3-methyl-4-(2,4,6-tribromophenyl)azo-2-pyrazoline-1-carbothioamide Formula: C11H8Br3N5OS MolecularWeight: 497.99112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2Br)Br)Br)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2Br)Br)Br)C(=S)N

InChI

InChI=1S/C11H8Br3N5OS/c1-4-8(10(20)19(18-4)11(15)21)16-17-9-6(13)2-5(12)3-7(9)14/h2-3,8H,1H3,(H2,15,21)