4-butyl-3-[2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(9H-fluoren-3-yl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(9H-fluoren-3-yl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(9H-fluoren-3-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(9H-fluoren-3-yl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(CC4=CC=CC=C43)C=C2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(CC4=CC=CC=C43)C=C2

InChI

InChI=1S/C21H21N3O2S/c1-2-3-10-24-20(26)22-23-21(24)27-13-19(25)16-9-8-15-11-14-6-4-5-7-17(14)18(15)12-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,26)