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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=CN2)C3(SC4=CC=CC=C4S3)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CN2)C3(SC4=CC=CC=C4S3)C5CCCCC5

InChI

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