1-(1,3-benzodioxol-5-yl)-3-[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-iodo-1-methylpyrazole-3-carbonyl)amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]thiourea Formula: C13H12IN5O3S MolecularWeight: 445.23555

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3)I

InChI

InChI=1S/C13H12IN5O3S/c1-19-5-8(14)11(18-19)12(20)16-17-13(23)15-7-2-3-9-10(4-7)22-6-21-9/h2-5H,6H2,1H3,(H,16,20)(H2,15,17,23)