chloranylbenzene; 1-imidazol-1-yl-3,3-dimethyl-4-sulfanyl-butan-2-one

Systemtic Name: chloranylbenzene; 1-imidazol-1-yl-3,3-dimethyl-4-sulfanyl-butan-2-one Openeye Name: chlorobenzene; 1-imidazol-1-yl-3,3-dimethyl-4-sulfanyl-butan-2-one CAS Name: chlorobenzene; 1-(1-imidazolyl)-4-mercapto-3,3-dimethyl-2-butanone IUPAC Name: chlorobenzene; 1-imidazol-1-yl-3,3-dimethyl-4-sulfanylbutan-2-one Traditional Name: chlorobenzene; 1-imidazol-1-yl-4-mercapto-3,3-dimethyl-butan-2-one Formula: C15H19ClN2OS MolecularWeight: 310.84216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS)C(=O)CN1C=CN=C1.C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(CS)C(=O)CN1C=CN=C1.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H14N2OS.C6H5Cl/c1-9(2,6-13)8(12)5-11-4-3-10-7-11;7-6-4-2-1-3-5-6/h3-4,7,13H,5-6H2,1-2H3;1-5H