4-[[3-(hydroxymethyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: 4-[[3-(hydroxymethyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: 4-[3-(hydroxymethyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: 4-[3-(hydroxymethyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: 4-[[3-(hydroxymethyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: 5-keto-3-methyl-4-(3-methylolphenyl)azo-2-pyrazoline-1-carbothioamide Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)CO)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)CO)C(=S)N

InChI

InChI=1S/C12H13N5O2S/c1-7-10(11(19)17(16-7)12(13)20)15-14-9-4-2-3-8(5-9)6-18/h2-5,10,18H,6H2,1H3,(H2,13,20)