5-[[1,3-bis(oxidanylidene)inden-2-yl]-pyridin-3-yl-methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1,3-bis(oxidanylidene)inden-2-yl]-pyridin-3-yl-methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-dioxoindan-2-yl)-(3-pyridyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-dioxo-2-indenyl)-(3-pyridinyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-dioxoinden-2-yl)-pyridin-3-ylmethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1,3-diketoindan-2-yl)-(3-pyridyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)C(C3C(=O)NC(=S)NC3=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C(C3C(=O)NC(=S)NC3=O)C4=CN=CC=C4

InChI

InChI=1S/C19H13N3O4S/c23-15-10-5-1-2-6-11(10)16(24)13(15)12(9-4-3-7-20-8-9)14-17(25)21-19(27)22-18(14)26/h1-8,12-14H,(H2,21,22,25,26,27)