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

Systemtic Name: chloranylbenzene; 1-imidazol-1-yl-3,3-dimethyl-4-sulfanyl-butan-2-ol Openeye Name: chlorobenzene; 1-imidazol-1-yl-3,3-dimethyl-4-sulfanyl-butan-2-ol CAS Name: chlorobenzene; 1-(1-imidazolyl)-4-mercapto-3,3-dimethyl-2-butanol IUPAC Name: chlorobenzene; 1-imidazol-1-yl-3,3-dimethyl-4-sulfanylbutan-2-ol Traditional Name: chlorobenzene; 1-imidazol-1-yl-4-mercapto-3,3-dimethyl-butan-2-ol Formula: C15H21ClN2OS MolecularWeight: 312.85804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2OS.C6H5Cl/c1-9(2,6-13)8(12)5-11-4-3-10-7-11;7-6-4-2-1-3-5-6/h3-4,7-8,12-13H,5-6H2,1-2H3;1-5H