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

Systemtic Name: 1-[2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-2,2-dimethyl-propan-1-one Formula: C23H21NOS4 MolecularWeight: 455.67894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=C(NC(=C1)C2SC3=CC=CC=C3S2)C4SC5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)C(=O)C1=C(NC(=C1)C2SC3=CC=CC=C3S2)C4SC5=CC=CC=C5S4

InChI

InChI=1S/C23H21NOS4/c1-23(2,3)20(25)13-12-14(21-26-15-8-4-5-9-16(15)27-21)24-19(13)22-28-17-10-6-7-11-18(17)29-22/h4-12,21-22,24H,1-3H3