1-(furan-2-ylmethyl)-3-[1-[[4-(furan-2-ylmethylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-[1-[[4-(furan-2-ylmethylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(2-furylmethyl)-3-[1-[[4-(2-furylmethylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea CAS Name: 1-(2-furanylmethyl)-3-[1-[[4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-[1-[[4-(furan-2-ylmethylcarbamothioylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(2-furfuryl)-3-[1-[[4-(2-furfurylthiocarbamoylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea Formula: C19H20N8O2S2 MolecularWeight: 456.5445

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=S)NC2=CN(N=C2)CN3C=C(C=N3)NC(=S)NCC4=CC=CO4

Isomeric SMILES

C1=COC(=C1)CNC(=S)NC2=CN(N=C2)CN3C=C(C=N3)NC(=S)NCC4=CC=CO4

InChI

InChI=1S/C19H20N8O2S2/c30-18(20-9-16-3-1-5-28-16)24-14-7-22-26(11-14)13-27-12-15(8-23-27)25-19(31)21-10-17-4-2-6-29-17/h1-8,11-12H,9-10,13H2,(H2,20,24,30)(H2,21,25,31)