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

Systemtic Name: 4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C23H17N3O4S/c1-28-17-9-10-18-15(12-21(27)30-20(18)13-17)14-31-23-25-24-22(19-8-5-11-29-19)26(23)16-6-3-2-4-7-16/h2-13H,14H2,1H3