1-[3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-benzylsulfanyl-3-(2-furyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-benzylsulfanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-(benzylthio)-3-(2-furyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CO3)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CO3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S/c25-19(14-16-8-3-1-4-9-16)24-21(27-15-17-10-5-2-6-11-17)22-20(23-24)18-12-7-13-26-18/h1-13H,14-15H2