4-(3-oxidanylidene-1,2,4-triphenyl-5-sulfanylidene-pyrazolidin-4-yl)butanoate

Systemtic Name: 4-(3-oxidanylidene-1,2,4-triphenyl-5-sulfanylidene-pyrazolidin-4-yl)butanoate Openeye Name: 4-(3-oxo-1,2,4-triphenyl-5-thioxo-pyrazolidin-4-yl)butanoate CAS Name: 4-(3-oxo-1,2,4-triphenyl-5-sulfanylidene-4-pyrazolidinyl)butanoate IUPAC Name: 4-(3-oxo-1,2,4-triphenyl-5-sulfanylidenepyrazolidin-4-yl)butanoate Traditional Name: 4-(3-keto-1,2,4-triphenyl-5-thioxo-pyrazolidin-4-yl)butyrate Formula: C25H21N2O3S- MolecularWeight: 429.51084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(=O)N(N(C2=S)C3=CC=CC=C3)C4=CC=CC=C4)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2(C(=O)N(N(C2=S)C3=CC=CC=C3)C4=CC=CC=C4)CCCC(=O)[O-]

InChI

InChI=1S/C25H22N2O3S/c28-22(29)17-10-18-25(19-11-4-1-5-12-19)23(30)26(20-13-6-2-7-14-20)27(24(25)31)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2,(H,28,29)/p-1