2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-benzyl-5-methyl-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=NN=C(N1CC2=CC=CC=C2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H16N4O2S/c1-13-20-21-19(22(13)11-14-7-3-2-4-8-14)26-12-23-17(24)15-9-5-6-10-16(15)18(23)25/h2-10H,11-12H2,1H3