S-(naphthalen-2-ylamino) 3-oxidanylidene-4,5-diphenyl-pyrazolidine-1-carbothioate

Systemtic Name: S-(naphthalen-2-ylamino) 3-oxidanylidene-4,5-diphenyl-pyrazolidine-1-carbothioate Openeye Name: S-(2-naphthylamino) 3-oxo-4,5-diphenyl-pyrazolidine-1-carbothioate CAS Name: 3-oxo-4,5-diphenyl-1-pyrazolidinecarbothioic acid S-(2-naphthalenylamino) ester IUPAC Name: S-(naphthalen-2-ylamino) 3-oxo-4,5-diphenylpyrazolidine-1-carbothioate Traditional Name: 3-keto-4,5-diphenyl-pyrazolidine-1-carbothioic acid S-(2-naphthylamino) ester Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(N(NC2=O)C(=O)SNC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2C(N(NC2=O)C(=O)SNC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S/c30-25-23(19-10-3-1-4-11-19)24(20-12-5-2-6-13-20)29(27-25)26(31)32-28-22-16-15-18-9-7-8-14-21(18)17-22/h1-17,23-24,28H,(H,27,30)