1,3-bis[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1,3-bis[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1,3-bis[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1,3-bis[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1,3-bis[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1,3-bis[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetone Formula: C27H20N6O3S2 MolecularWeight: 540.6161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5)C6=CC=CO6

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5)C6=CC=CO6

InChI

InChI=1S/C27H20N6O3S2/c34-21(17-37-26-30-28-24(22-13-7-15-35-22)32(26)19-9-3-1-4-10-19)18-38-27-31-29-25(23-14-8-16-36-23)33(27)20-11-5-2-6-12-20/h1-16H,17-18H2