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

Systemtic Name: 4-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C19H15FN4O2S MolecularWeight: 382.411403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC(=CC=C4)F

InChI

InChI=1S/C19H15FN4O2S/c1-11-5-6-15-13(9-17(25)26-16(15)7-11)10-27-19-23-22-18(24(19)21)12-3-2-4-14(20)8-12/h2-9H,10,21H2,1H3