4-(1,3-benzodioxol-5-ylcarbamothioylamino)-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)-2-ethyl-pyrazole-3-carboxamide Formula: C14H15N5O3S MolecularWeight: 333.3656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)N

InChI

InChI=1S/C14H15N5O3S/c1-2-19-12(13(15)20)9(6-16-19)18-14(23)17-8-3-4-10-11(5-8)22-7-21-10/h3-6H,2,7H2,1H3,(H2,15,20)(H2,17,18,23)