6-chloranyl-4-[[5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C26H27ClFN3O3S MolecularWeight: 516.027283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)COC4=CC=CC=C4F

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)COC4=CC=CC=C4F

InChI

InChI=1S/C26H27ClFN3O3S/c1-3-4-5-8-11-31-24(15-33-22-10-7-6-9-21(22)28)29-30-26(31)35-16-18-13-25(32)34-23-12-17(2)20(27)14-19(18)23/h6-7,9-10,12-14H,3-5,8,11,15-16H2,1-2H3