4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 4,5-dihydro-1,3-thiazol-2-amine

Systemtic Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 4,5-dihydro-1,3-thiazol-2-amine Openeye Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 4,5-dihydrothiazol-2-amine CAS Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 4,5-dihydrothiazol-2-amine IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 4,5-dihydro-1,3-thiazol-2-amine Traditional Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-quinone; 2-thiazolin-2-ylamine Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.C1CSC(=N1)N

Isomeric SMILES

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.C1CSC(=N1)N

InChI

InChI=1S/C19H20N2O2.C3H6N2S/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;4-3-5-1-2-6-3/h4-13,17H,2-3,14H2,1H3;1-2H2,(H2,4,5)