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

Systemtic Name: (9S)-2-ethylsulfanyl-9-(3-methoxy-4-oxidanyl-phenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: (9S)-2-ethylsulfanyl-9-(4-hydroxy-3-methoxy-phenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: (9S)-2-(ethylthio)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: (9S)-2-ethylsulfanyl-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: (9S)-2-(ethylthio)-9-(4-hydroxy-3-methoxy-phenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-5-28-19-22-18-21-12-9-20(2,3)10-14(26)16(12)17(24(18)23-19)11-6-7-13(25)15(8-11)27-4/h6-8,17,25H,5,9-10H2,1-4H3,(H,21,22,23)/t17-/m0/s1