[4,6-bis(oxidanylidene)-2,3-diphenyl-1H-pyrimidin-3-ium-5-yl] N,N-diethylcarbamodithioate

Systemtic Name: [4,6-bis(oxidanylidene)-2,3-diphenyl-1H-pyrimidin-3-ium-5-yl] N,N-diethylcarbamodithioate Openeye Name: (4,6-dioxo-2,3-diphenyl-1H-pyrimidin-3-ium-5-yl) N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (4,6-dioxo-2,3-diphenyl-1H-pyrimidin-3-ium-5-yl) ester IUPAC Name: (4,6-dioxo-2,3-diphenyl-1H-pyrimidin-3-ium-5-yl) N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (4,6-diketo-2,3-diphenyl-1H-pyrimidin-3-ium-5-yl) ester Formula: C21H22N3O2S2+ MolecularWeight: 412.54828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1C(=O)NC(=[N+](C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=S)SC1C(=O)NC(=[N+](C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S2/c1-3-23(4-2)21(27)28-17-19(25)22-18(15-11-7-5-8-12-15)24(20(17)26)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3/p+1