1-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-[4-oxo-4-(2-thienyl)butyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[(4-oxo-4-thiophen-2-ylbutyl)thio]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(4-oxo-4-thiophen-2-ylbutyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[[4-keto-4-(2-thienyl)butyl]thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC(=O)C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C20H18N4O2S2/c1-2-11-23-18(26)14-7-3-4-8-15(14)24-19(23)21-22-20(24)28-13-5-9-16(25)17-10-6-12-27-17/h2-4,6-8,10,12H,1,5,9,11,13H2