2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(4-cyclohexylphenyl)ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-cyclohexylphenyl)ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(4-cyclohexylphenyl)ethanone Formula: C21H20ClNOS2 MolecularWeight: 401.9726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClNOS2/c22-17-10-11-20-18(12-17)23-21(26-20)25-13-19(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2