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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4CCCO4)C5=CC=CS5)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4CCCO4)C5=CC=CS5)O

InChI

InChI=1S/C23H23N3O4S2/c1-2-14-9-17-15(10-21(28)30-19(17)11-18(14)27)13-32-23-25-24-22(20-6-4-8-31-20)26(23)12-16-5-3-7-29-16/h4,6,8-11,16,27H,2-3,5,7,12-13H2,1H3