7-ethyl-4-[[4-[[(2R)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[4-[[(2R)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[[4-[[(2R)-2-oxolanyl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-[[(2R)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[[4-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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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=CS5

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C[C@H]4CCCO4)C5=CC=CS5

InChI

InChI=1S/C23H23N3O3S2/c1-2-15-7-8-18-16(12-21(27)29-19(18)11-15)14-31-23-25-24-22(20-6-4-10-30-20)26(23)13-17-5-3-9-28-17/h4,6-8,10-12,17H,2-3,5,9,13-14H2,1H3/t17-/m1/s1