4-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-(2-fluorobenzyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3N)CC4=CC=CC=C4F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3N)CC4=CC=CC=C4F)O

InChI

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