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

Systemtic Name: 4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C16H15N3O2S/c1-12(20)9-11-22-16-18-17-15(14-8-5-10-21-14)19(16)13-6-3-2-4-7-13/h2-8,10H,9,11H2,1H3