4-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O3S/c1-2-9-25-20(13-3-5-15(22)6-4-13)23-24-21(25)29-12-14-10-19(27)28-18-11-16(26)7-8-17(14)18/h2-8,10-11,26H,1,9,12H2