1-[4-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-(2-tert-butyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-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=CC(=CN1)C2(SC3=CC=CC=C3S2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)C1=CC(=CN1)C2(SC3=CC=CC=C3S2)C(C)(C)C

InChI

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