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

Systemtic Name: 2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CN=CC=C5

InChI

InChI=1S/C23H17N5O2S/c29-21-18-10-4-5-11-19(18)22(30)28(21)15-31-23-26-25-20(17-9-6-12-24-13-17)27(23)14-16-7-2-1-3-8-16/h1-13H,14-15H2