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

Systemtic Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H12N4O2S/c22-15-13-8-4-5-9-14(13)16(23)20(15)11-24-17-18-10-21(19-17)12-6-2-1-3-7-12/h1-10H,11H2