1-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C26H18N4O3S MolecularWeight: 466.51112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NN=C(N4CC5=CC=CO5)C6=CN=CC=C6

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NN=C(N4CC5=CC=CO5)C6=CN=CC=C6

InChI

InChI=1S/C26H18N4O3S/c31-23-13-19(24-21-8-2-1-5-17(21)9-10-22(24)33-23)16-34-26-29-28-25(18-6-3-11-27-14-18)30(26)15-20-7-4-12-32-20/h1-14H,15-16H2