1-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)amino]-3-(2-furylmethyl)thiourea CAS Name: 1-[[(4-chloro-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)amino]-3-(2-furfuryl)thiourea Formula: C12H14ClN5O2S MolecularWeight: 327.78986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C(=O)NNC(=S)NCC2=CC=CO2)C

Isomeric SMILES

CC1=NN(C(=C1Cl)C(=O)NNC(=S)NCC2=CC=CO2)C

InChI

InChI=1S/C12H14ClN5O2S/c1-7-9(13)10(18(2)17-7)11(19)15-16-12(21)14-6-8-4-3-5-20-8/h3-5H,6H2,1-2H3,(H,15,19)(H2,14,16,21)