ethanoic acid; 6-methyl-8-methylsulfanyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol

Systemtic Name: ethanoic acid; 6-methyl-8-methylsulfanyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Openeye Name: acetic acid; 6-methyl-8-methylsulfanyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol CAS Name: acetic acid; 6-methyl-8-(methylthio)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol IUPAC Name: acetic acid; 6-methyl-8-methylsulfanyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Traditional Name: acetic acid; 6-methyl-8-(methylthio)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C2=NC=CN2C3=C1C=C(C=C3)SC)O.CC(=O)O

Isomeric SMILES

CC1=NC(C2=NC=CN2C3=C1C=C(C=C3)SC)O.CC(=O)O

InChI

InChI=1S/C13H13N3OS.C2H4O2/c1-8-10-7-9(18-2)3-4-11(10)16-6-5-14-12(16)13(17)15-8;1-2(3)4/h3-7,13,17H,1-2H3;1H3,(H,3,4)