5-(5,6-diphenyl-1,2,4-triazin-3-yl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinane-1-carbothioamide

Systemtic Name: 5-(5,6-diphenyl-1,2,4-triazin-3-yl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinane-1-carbothioamide Openeye Name: 5-(5,6-diphenyl-1,2,4-triazin-3-yl)-4,6-dioxo-2-thioxo-hexahydropyrimidine-1-carbothioamide CAS Name: 5-(5,6-diphenyl-1,2,4-triazin-3-yl)-4,6-dioxo-2-sulfanylidene-1,3-diazinane-1-carbothioamide IUPAC Name: 5-(5,6-diphenyl-1,2,4-triazin-3-yl)-4,6-dioxo-2-sulfanylidene-1,3-diazinane-1-carbothioamide Traditional Name: 5-(5,6-diphenyl-1,2,4-triazin-3-yl)-4,6-diketo-2-thioxo-hexahydropyrimidine-1-carbothioamide Formula: C20H14N6O2S2 MolecularWeight: 434.49416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)C3C(=O)NC(=S)N(C3=O)C(=S)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)C3C(=O)NC(=S)N(C3=O)C(=S)N)C4=CC=CC=C4

InChI

InChI=1S/C20H14N6O2S2/c21-19(29)26-18(28)13(17(27)23-20(26)30)16-22-14(11-7-3-1-4-8-11)15(24-25-16)12-9-5-2-6-10-12/h1-10,13H,(H2,21,29)(H,23,27,30)