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

Systemtic Name: ethanoic acid; 2-methyl-8-methylsulfanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Openeye Name: acetic acid; 2-methyl-8-methylsulfanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol CAS Name: acetic acid; 2-methyl-8-(methylthio)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol IUPAC Name: acetic acid; 2-methyl-8-methylsulfanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Traditional Name: acetic acid; 2-methyl-8-(methylthio)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(C=C(C=C3)SC)C(=NC(C2=N1)O)C4=CC=CC=C4.CC(=O)O

Isomeric SMILES

CC1=CN2C3=C(C=C(C=C3)SC)C(=NC(C2=N1)O)C4=CC=CC=C4.CC(=O)O

InChI

InChI=1S/C19H17N3OS.C2H4O2/c1-12-11-22-16-9-8-14(24-2)10-15(16)17(13-6-4-3-5-7-13)21-19(23)18(22)20-12;1-2(3)4/h3-11,19,23H,1-2H3;1H3,(H,3,4)