(4S)-4-[(4-ethoxyphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: (4S)-4-[(4-ethoxyphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: (4S)-4-(4-ethoxyphenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: (4S)-4-(4-ethoxyphenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: (4S)-4-[(4-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: (4S)-5-keto-3-methyl-4-p-phenetylazo-2-pyrazoline-1-carbothioamide Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=S)N)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N=N[C@H]2C(=NN(C2=O)C(=S)N)C

InChI

InChI=1S/C13H15N5O2S/c1-3-20-10-6-4-9(5-7-10)15-16-11-8(2)17-18(12(11)19)13(14)21/h4-7,11H,3H2,1-2H3,(H2,14,21)/t11-/m0/s1