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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H14N4O2S/c1-12-6-2-5-9-15(12)21-10-19-20-18(21)25-11-22-16(23)13-7-3-4-8-14(13)17(22)24/h2-10H,11H2,1H3