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

Systemtic Name: 1-[3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[5-benzylsulfanyl-3-(2-furyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[5-benzylsulfanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[5-(benzylthio)-3-(2-furyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c26-20(14-13-17-8-3-1-4-9-17)25-22(28-16-18-10-5-2-6-11-18)23-21(24-25)19-12-7-15-27-19/h1-12,15H,13-14,16H2