4-[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C29H22F3N3O3S MolecularWeight: 549.56349

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC4=CC(=O)OC5=CC6=C(CCC6)C=C45

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC4=CC(=O)OC5=CC6=C(CCC6)C=C45

InChI

InChI=1S/C29H22F3N3O3S/c1-37-23-10-8-17(9-11-23)27-33-34-28(35(27)22-7-3-6-21(15-22)29(30,31)32)39-16-20-14-26(36)38-25-13-19-5-2-4-18(19)12-24(20)25/h3,6-15H,2,4-5,16H2,1H3