1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(furan-2-ylmethylcarbamothioylamino)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(furan-2-ylmethylcarbamothioylamino)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-furylmethylcarbamothioylamino)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(furan-2-ylmethylcarbamothioylamino)thiourea Traditional Name: 1-(2-furfuryl)-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]thiourea Formula: C18H20N6O2S2 MolecularWeight: 416.5204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H20N6O2S2/c1-12-15(16(25)24(23(12)2)13-7-4-3-5-8-13)20-18(28)22-21-17(27)19-11-14-9-6-10-26-14/h3-10H,11H2,1-2H3,(H2,19,21,27)(H2,20,22,28)