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

Systemtic Name: 4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

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