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

Systemtic Name: ethanoic acid; 1,2,6-trimethyl-8-methylsulfanyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Openeye Name: acetic acid; 1,2,6-trimethyl-8-methylsulfanyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol CAS Name: acetic acid; 1,2,6-trimethyl-8-(methylthio)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol IUPAC Name: acetic acid; 1,2,6-trimethyl-8-methylsulfanyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Traditional Name: acetic acid; 1,2,6-trimethyl-8-(methylthio)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(C=C(C=C3)SC)C(=NC(C2=N1)O)C)C.CC(=O)O

Isomeric SMILES

CC1=C(N2C3=C(C=C(C=C3)SC)C(=NC(C2=N1)O)C)C.CC(=O)O

InChI

InChI=1S/C15H17N3OS.C2H4O2/c1-8-10(3)18-13-6-5-11(20-4)7-12(13)9(2)17-15(19)14(18)16-8;1-2(3)4/h5-7,15,19H,1-4H3;1H3,(H,3,4)