4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C19H21N3O3S/c23-14-6-7-15-13(9-18(24)25-16(15)10-14)11-26-19-20-17(21-22-19)8-5-12-3-1-2-4-12/h6-7,9-10,12,23H,1-5,8,11H2,(H,20,21,22)