4-butyl-1-(5-oxidanylidene-4,4-diphenyl-1H-imidazol-2-yl)-5-sulfanylidene-1,2,4-triazolidin-3-one

Systemtic Name: 4-butyl-1-(5-oxidanylidene-4,4-diphenyl-1H-imidazol-2-yl)-5-sulfanylidene-1,2,4-triazolidin-3-one Openeye Name: 4-butyl-1-(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)-5-thioxo-1,2,4-triazolidin-3-one CAS Name: 4-butyl-1-(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)-5-sulfanylidene-1,2,4-triazolidin-3-one IUPAC Name: 4-butyl-1-(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)-5-sulfanylidene-1,2,4-triazolidin-3-one Traditional Name: 4-butyl-1-(5-keto-4,4-diphenyl-2-imidazolin-2-yl)-5-thioxo-1,2,4-triazolidin-3-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN(C1=S)C2=NC(C(=O)N2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)NN(C1=S)C2=NC(C(=O)N2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-2-3-14-25-19(28)24-26(20(25)29)18-22-17(27)21(23-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,24,28)(H,22,23,27)