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

Systemtic Name: 7-ethyl-4-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[[5-(4-methoxyphenyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[[5-(4-methoxyphenyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[[5-(4-methoxyphenyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4CCCO4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4CCCO4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H27N3O4S/c1-3-17-6-11-22-19(14-24(30)33-23(22)13-17)16-34-26-28-27-25(18-7-9-20(31-2)10-8-18)29(26)15-21-5-4-12-32-21/h6-11,13-14,21H,3-5,12,15-16H2,1-2H3