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

Systemtic Name: 4-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C19H15FN4O3S MolecularWeight: 398.410803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC(=CC=C4)F

InChI

InChI=1S/C19H15FN4O3S/c1-26-14-5-6-15-12(8-17(25)27-16(15)9-14)10-28-19-23-22-18(24(19)21)11-3-2-4-13(20)7-11/h2-9H,10,21H2,1H3