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

Systemtic Name: 2-[4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N4O3S/c27-19-17-10-4-5-11-18(17)20(28)25(19)13-6-7-15-30-22-24-23-21(29)26(22)14-12-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2,(H,23,29)