2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C19H16N4O2S/c1-12-7-8-16(13(2)9-12)22-10-20-21-19(22)26-11-23-17(24)14-5-3-4-6-15(14)18(23)25/h3-10H,11H2,1-2H3