4-(2-hydroxyethyl)-5-methyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide

Systemtic Name: 4-(2-hydroxyethyl)-5-methyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide Openeye Name: 4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide CAS Name: 4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide IUPAC Name: 4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide Traditional Name: 4-(2-hydroxyethyl)-5-keto-3-methyl-3-pyrazoline-1-carbothioamide Formula: C7H11N3O2S MolecularWeight: 201.24614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(=S)N)CCO

Isomeric SMILES

CC1=C(C(=O)N(N1)C(=S)N)CCO

InChI

InChI=1S/C7H11N3O2S/c1-4-5(2-3-11)6(12)10(9-4)7(8)13/h9,11H,2-3H2,1H3,(H2,8,13)