(9R)-9-(4-hydroxyphenyl)-6,6-dimethyl-2-prop-2-enylsulfanyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: (9R)-9-(4-hydroxyphenyl)-6,6-dimethyl-2-prop-2-enylsulfanyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: (9R)-2-allylsulfanyl-9-(4-hydroxyphenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: (9R)-9-(4-hydroxyphenyl)-6,6-dimethyl-2-(prop-2-enylthio)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: (9R)-9-(4-hydroxyphenyl)-6,6-dimethyl-2-prop-2-enylsulfanyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: (9R)-2-(allylthio)-9-(4-hydroxyphenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC2=C([C@H](N3C(=N2)N=C(N3)SCC=C)C4=CC=C(C=C4)O)C(=O)C1)C

InChI

InChI=1S/C20H22N4O2S/c1-4-9-27-19-22-18-21-14-10-20(2,3)11-15(26)16(14)17(24(18)23-19)12-5-7-13(25)8-6-12/h4-8,17,25H,1,9-11H2,2-3H3,(H,21,22,23)/t17-/m1/s1