2-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]isoindoline-1,3-quinone Formula: C16H11N5O2S MolecularWeight: 337.35584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=S)N(N=N2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=S)N(N=N2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C16H11N5O2S/c22-14-12-8-4-5-9-13(12)15(23)19(14)10-20-16(24)21(18-17-20)11-6-2-1-3-7-11/h1-9H,10H2