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

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)C5=CC=CC=C5Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H20ClN3O3S/c24-19-8-4-3-7-18(19)22-25-26-23(27(22)15-5-1-2-6-15)31-13-14-11-21(29)30-20-12-16(28)9-10-17(14)20/h3-4,7-12,15,28H,1-2,5-6,13H2