4-[[5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C23H20FN3O4S MolecularWeight: 453.486003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC=C)COC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC=C)COC4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN3O4S/c1-3-10-27-21(13-30-17-6-4-16(24)5-7-17)25-26-23(27)32-14-15-11-22(28)31-20-12-18(29-2)8-9-19(15)20/h3-9,11-12H,1,10,13-14H2,2H3