4-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[5-(4-methoxyphenyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-4-[[[5-(4-methoxyphenyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methylchromen-2-one Traditional Name: 7-hydroxy-4-[[[5-(4-methoxyphenyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-coumarin Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3CC4CCCO4)C5=CC=C(C=C5)OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3CC4CCCO4)C5=CC=C(C=C5)OC)O

InChI

InChI=1S/C25H25N3O5S/c1-15-21(29)10-9-20-17(12-22(30)33-23(15)20)14-34-25-27-26-24(16-5-7-18(31-2)8-6-16)28(25)13-19-4-3-11-32-19/h5-10,12,19,29H,3-4,11,13-14H2,1-2H3