1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[1-(4-fluorobenzyl)pyrazol-4-yl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CN(N=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CN(N=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4O2S/c1-13-8-20(27)28-19-9-16(6-7-18(13)19)24-21(29)25-17-10-23-26(12-17)11-14-2-4-15(22)5-3-14/h2-10,12H,11H2,1H3,(H2,24,25,29)