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

Systemtic Name: ethanoic acid; 8-methylsulfanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Openeye Name: acetic acid; 8-methylsulfanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol CAS Name: acetic acid; 8-(methylthio)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol IUPAC Name: acetic acid; 8-methylsulfanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Traditional Name: acetic acid; 8-(methylthio)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-ol Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CSC1=CC2=C(C=C1)N3C=CN=C3C(N=C2C4=CC=CC=C4)O

Isomeric SMILES

CC(=O)O.CSC1=CC2=C(C=C1)N3C=CN=C3C(N=C2C4=CC=CC=C4)O

InChI

InChI=1S/C18H15N3OS.C2H4O2/c1-23-13-7-8-15-14(11-13)16(12-5-3-2-4-6-12)20-18(22)17-19-9-10-21(15)17;1-2(3)4/h2-11,18,22H,1H3;1H3,(H,3,4)