1-phenyl-2-(2-sulfanylimidazol-2-yl)ethanone hydrate

Systemtic Name: 1-phenyl-2-(2-sulfanylimidazol-2-yl)ethanone hydrate Openeye Name: 1-phenyl-2-(2-sulfanylimidazol-2-yl)ethanone hydrate CAS Name: 2-(2-mercapto-2-imidazolyl)-1-phenylethanone hydrate IUPAC Name: 1-phenyl-2-(2-sulfanylimidazol-2-yl)ethanone hydrate Traditional Name: 2-(2-mercaptoimidazol-2-yl)-1-phenyl-ethanone hydrate Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC2(N=CC=N2)S.C1=CC=C(C=C1)C(=O)CC2(N=CC=N2)S.O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC2(N=CC=N2)S.C1=CC=C(C=C1)C(=O)CC2(N=CC=N2)S.O

InChI

InChI=1S/2C11H10N2OS.H2O/c2*14-10(9-4-2-1-3-5-9)8-11(15)12-6-7-13-11;/h2*1-7,15H,8H2;1H2