2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[1-(o-tolyl)tetrazol-5-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[1-(2-methylphenyl)-5-tetrazolyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[1-(o-tolyl)tetrazol-5-yl]thio]methyl]isoindoline-1,3-quinone Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H13N5O2S/c1-11-6-2-5-9-14(11)22-17(18-19-20-22)25-10-21-15(23)12-7-3-4-8-13(12)16(21)24/h2-9H,10H2,1H3