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

Systemtic Name: 4-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-(2-indan-5-yl-2-oxo-ethyl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-indan-5-yl-2-keto-ethyl)thio]-1H-1,2,4-triazol-5-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C17H21N3O2S/c1-2-3-9-20-16(22)18-19-17(20)23-11-15(21)14-8-7-12-5-4-6-13(12)10-14/h7-8,10H,2-6,9,11H2,1H3,(H,18,22)