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

Systemtic Name: 4-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C27H22FN3O3S MolecularWeight: 487.545283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CC=C5F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=CC=C5F

InChI

InChI=1S/C27H22FN3O3S/c1-33-20-11-12-21-19(15-25(32)34-24(21)16-20)17-35-27-30-29-26(22-9-5-6-10-23(22)28)31(27)14-13-18-7-3-2-4-8-18/h2-12,15-16H,13-14,17H2,1H3