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

Systemtic Name: 2-[2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C19H17N5O2S/c1-12-7-8-14(11-13(12)2)24-19(20-21-22-24)27-10-9-23-17(25)15-5-3-4-6-16(15)18(23)26/h3-8,11H,9-10H2,1-2H3