(5S)-5-ethyl-5-methyl-2-(phenylmethylsulfanyl)-6H-benzo[h]quinazolin-4-olate

Systemtic Name: (5S)-5-ethyl-5-methyl-2-(phenylmethylsulfanyl)-6H-benzo[h]quinazolin-4-olate Openeye Name: (5S)-2-benzylsulfanyl-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-olate CAS Name: (5S)-5-ethyl-5-methyl-2-(phenylmethylthio)-6H-benzo[h]quinazolin-4-olate IUPAC Name: (5S)-2-benzylsulfanyl-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-olate Traditional Name: (5S)-2-(benzylthio)-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-olate Formula: C22H21N2OS- MolecularWeight: 361.47994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=NC(=N3)SCC4=CC=CC=C4)[O-])C

Isomeric SMILES

CC[C@]1(CC2=CC=CC=C2C3=C1C(=NC(=N3)SCC4=CC=CC=C4)[O-])C

InChI

InChI=1S/C22H22N2OS/c1-3-22(2)13-16-11-7-8-12-17(16)19-18(22)20(25)24-21(23-19)26-14-15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H,23,24,25)/p-1/t22-/m0/s1