6-chloranyl-4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 6-chloro-4-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 6-chloro-4-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-coumarin Formula: C23H19ClFN3O2S MolecularWeight: 455.932263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4CC4)C5=CC=CC=C5F)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4CC4)C5=CC=CC=C5F)Cl

InChI

InChI=1S/C23H19ClFN3O2S/c1-2-13-9-20-17(11-18(13)24)14(10-21(29)30-20)12-31-23-27-26-22(28(23)15-7-8-15)16-5-3-4-6-19(16)25/h3-6,9-11,15H,2,7-8,12H2,1H3