2-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18N4O3S/c25-17-15-8-4-5-9-16(15)18(26)23(17)12-13-28-20-22-21-19(27)24(20)11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,27)