1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C21H16ClFN4O2S MolecularWeight: 442.893743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H16ClFN4O2S/c1-12-9-20(28)29-18-10-13(5-6-14(12)18)24-21(30)25-19-7-8-27(26-19)11-15-16(22)3-2-4-17(15)23/h2-10H,11H2,1H3,(H2,24,25,26,30)