N-(1,3-benzodioxol-5-yl)-2-[(5-oxidanylidene-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxidanylidene-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N5O4S/c1-2-9-25-19(28)14-5-3-4-6-15(14)26-20(25)23-24-21(26)31-11-18(27)22-13-7-8-16-17(10-13)30-12-29-16/h2-8,10H,1,9,11-12H2,(H,22,27)