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

Systemtic Name: 4-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)COC4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)COC4=CC=CC=C4F

InChI

InChI=1S/C20H17FN4O3S/c1-12-6-7-14-13(9-19(26)28-17(14)8-12)11-29-20-24-23-18(25(20)22)10-27-16-5-3-2-4-15(16)21/h2-9H,10-11,22H2,1H3