9-(3,4-dimethoxyphenyl)-2-pentylsulfanyl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: 9-(3,4-dimethoxyphenyl)-2-pentylsulfanyl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 9-(3,4-dimethoxyphenyl)-2-pentylsulfanyl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 9-(3,4-dimethoxyphenyl)-2-(pentylthio)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 9-(3,4-dimethoxyphenyl)-2-pentylsulfanyl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 2-(amylthio)-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=NC3=C(C(N2N1)C4=CC(=C(C=C4)OC)OC)C(=O)CCC3

Isomeric SMILES

CCCCCSC1=NC2=NC3=C(C(N2N1)C4=CC(=C(C=C4)OC)OC)C(=O)CCC3

InChI

InChI=1S/C22H28N4O3S/c1-4-5-6-12-30-22-24-21-23-15-8-7-9-16(27)19(15)20(26(21)25-22)14-10-11-17(28-2)18(13-14)29-3/h10-11,13,20H,4-9,12H2,1-3H3,(H,23,24,25)