1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[1-(3-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C23H21FN4O2S MolecularWeight: 436.501843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)F)C

InChI

InChI=1S/C23H21FN4O2S/c1-13-9-21(29)30-20-11-18(7-8-19(13)20)25-23(31)26-22-14(2)27-28(15(22)3)12-16-5-4-6-17(24)10-16/h4-11H,12H2,1-3H3,(H2,25,26,31)