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

Systemtic Name: (9S)-9-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: (9S)-9-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: (9S)-9-(2,3-dimethoxyphenyl)-2-(ethylthio)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: (9S)-9-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: (9S)-9-(2,3-dimethoxyphenyl)-2-(ethylthio)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=NC3=C(C(N2N1)C4=C(C(=CC=C4)OC)OC)C(=O)CC(C3)(C)C

Isomeric SMILES

CCSC1=NC2=NC3=C([C@@H](N2N1)C4=C(C(=CC=C4)OC)OC)C(=O)CC(C3)(C)C

InChI

InChI=1S/C21H26N4O3S/c1-6-29-20-23-19-22-13-10-21(2,3)11-14(26)16(13)17(25(19)24-20)12-8-7-9-15(27-4)18(12)28-5/h7-9,17H,6,10-11H2,1-5H3,(H,22,23,24)/t17-/m0/s1