4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C26H26FN3O2S MolecularWeight: 463.566943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5F)C

InChI

InChI=1S/C26H26FN3O2S/c1-16-12-13-20-18(14-23(31)32-24(20)17(16)2)15-33-26-29-28-25(21-10-6-7-11-22(21)27)30(26)19-8-4-3-5-9-19/h6-7,10-14,19H,3-5,8-9,15H2,1-2H3