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

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

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)N=C4N2NC(=N4)SCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C3=C(CC(CC3=O)(C)C)N=C4N2NC(=N4)SCC)O

InChI

InChI=1S/C21H26N4O3S/c1-5-28-16-9-12(7-8-14(16)26)18-17-13(10-21(3,4)11-15(17)27)22-19-23-20(29-6-2)24-25(18)19/h7-9,18,26H,5-6,10-11H2,1-4H3,(H,22,23,24)/t18-/m0/s1