1-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-(2-hydroxy-3-phenoxy-propyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[(2-hydroxy-3-phenoxypropyl)thio]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(2-hydroxy-3-phenoxypropyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[(2-hydroxy-3-phenoxy-propyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(COC4=CC=CC=C4)O

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C21H20N4O3S/c1-2-12-24-19(27)17-10-6-7-11-18(17)25-20(24)22-23-21(25)29-14-15(26)13-28-16-8-4-3-5-9-16/h2-11,15,26H,1,12-14H2