2-[2-oxidanylidene-2-phenyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-phenyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-phenyl-1-(1-phenyltetrazol-5-yl)sulfanyl-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-phenyl-1-[(1-phenyl-5-tetrazolyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-phenyl-1-(1-phenyltetrazol-5-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-phenyl-1-[(1-phenyltetrazol-5-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C23H15N5O3S MolecularWeight: 441.4619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(N2C(=O)C3=CC=CC=C3C2=O)SC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(N2C(=O)C3=CC=CC=C3C2=O)SC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H15N5O3S/c29-19(15-9-3-1-4-10-15)22(27-20(30)17-13-7-8-14-18(17)21(27)31)32-23-24-25-26-28(23)16-11-5-2-6-12-16/h1-14,22H