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

Systemtic Name: 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC(=O)C2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCCCC(=O)C2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C17H17N3O2S/c1-20-16(15-10-5-11-22-15)18-19-17(20)23-12-6-9-14(21)13-7-3-2-4-8-13/h2-5,7-8,10-11H,6,9,12H2,1H3