4-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C26H21N3O5S/c1-32-20-8-10-21(11-9-20)33-15-24-27-28-26(29(24)18-5-3-2-4-6-18)35-16-17-13-25(31)34-23-14-19(30)7-12-22(17)23/h2-14,30H,15-16H2,1H3