cyclohexyl-[4-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone

Systemtic Name: cyclohexyl-[4-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone Openeye Name: cyclohexyl-[4-[2-(p-tolyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone CAS Name: cyclohexyl-[4-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone IUPAC Name: cyclohexyl-[4-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone Traditional Name: cyclohexyl-[4-[2-(p-tolyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone Formula: C25H25NOS2 MolecularWeight: 419.6021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CNC(=C4)C(=O)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CNC(=C4)C(=O)C5CCCCC5

InChI

InChI=1S/C25H25NOS2/c1-17-11-13-19(14-12-17)25(28-22-9-5-6-10-23(22)29-25)20-15-21(26-16-20)24(27)18-7-3-2-4-8-18/h5-6,9-16,18,26H,2-4,7-8H2,1H3