9-(3-hydroxyphenyl)-6,6-dimethyl-2-thiophen-2-yl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: 9-(3-hydroxyphenyl)-6,6-dimethyl-2-thiophen-2-yl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 9-(3-hydroxyphenyl)-6,6-dimethyl-2-(2-thienyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 9-(3-hydroxyphenyl)-6,6-dimethyl-2-thiophen-2-yl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 9-(3-hydroxyphenyl)-6,6-dimethyl-2-thiophen-2-yl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 9-(3-hydroxyphenyl)-6,6-dimethyl-2-(2-thienyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N3C(=N2)N=C(N3)C4=CC=CS4)C5=CC(=CC=C5)O)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(N3C(=N2)N=C(N3)C4=CC=CS4)C5=CC(=CC=C5)O)C(=O)C1)C

InChI

InChI=1S/C21H20N4O2S/c1-21(2)10-14-17(15(27)11-21)18(12-5-3-6-13(26)9-12)25-20(22-14)23-19(24-25)16-7-4-8-28-16/h3-9,18,26H,10-11H2,1-2H3,(H,22,23,24)