1-[5-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[5-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[5-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[5-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[5-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[5-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethyl-propan-1-one Formula: C20H25NOS2 MolecularWeight: 359.5486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CNC(=C1)C2(SC3=CC=CC=C3S2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)C1=CNC(=C1)C2(SC3=CC=CC=C3S2)C(C)(C)C

InChI

InChI=1S/C20H25NOS2/c1-18(2,3)17(22)13-11-16(21-12-13)20(19(4,5)6)23-14-9-7-8-10-15(14)24-20/h7-12,21H,1-6H3