1-(1,3-benzodioxol-5-yl)-3-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]thiourea Formula: C17H13BrN6O6S MolecularWeight: 509.29072

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C17H13BrN6O6S/c18-11-7-23(22-15(11)24(26)27)6-10-2-4-13(30-10)16(25)20-21-17(31)19-9-1-3-12-14(5-9)29-8-28-12/h1-5,7H,6,8H2,(H,20,25)(H2,19,21,31)