2-[(5-oxidanylidene-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(5-oxidanylidene-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-allyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-allyl-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]methyl]isoindoline-1,3-quinone Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H15N5O3S/c1-2-11-24-19(29)15-9-5-6-10-16(15)26-20(24)22-23-21(26)30-12-25-17(27)13-7-3-4-8-14(13)18(25)28/h2-10H,1,11-12H2