2-(1,3-benzodithiol-2-ylidenemethyl)-1,6-dimethyl-4-phenyl-pyrimidin-1-ium

Systemtic Name: 2-(1,3-benzodithiol-2-ylidenemethyl)-1,6-dimethyl-4-phenyl-pyrimidin-1-ium Openeye Name: 2-(1,3-benzodithiol-2-ylidenemethyl)-1,6-dimethyl-4-phenyl-pyrimidin-1-ium CAS Name: 2-(1,3-benzodithiol-2-ylidenemethyl)-1,6-dimethyl-4-phenylpyrimidin-1-ium IUPAC Name: 2-(1,3-benzodithiol-2-ylidenemethyl)-1,6-dimethyl-4-phenylpyrimidin-1-ium Traditional Name: 2-(1,3-benzodithiol-2-ylidenemethyl)-1,6-dimethyl-4-phenyl-pyrimidin-1-ium Formula: C20H17N2S2+ MolecularWeight: 349.49238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C2=CC=CC=C2)C=C3SC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=[N+](C(=NC(=C1)C2=CC=CC=C2)C=C3SC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H17N2S2/c1-14-12-16(15-8-4-3-5-9-15)21-19(22(14)2)13-20-23-17-10-6-7-11-18(17)24-20/h3-13H,1-2H3/q+1