[3-(4-carbamimidoylsulfanylquinolin-3-yl)selanylquinolin-4-yl] carbamimidothioate

Systemtic Name: [3-(4-carbamimidoylsulfanylquinolin-3-yl)selanylquinolin-4-yl] carbamimidothioate Openeye Name: 2-[3-[(4-carbamimidoylsulfanyl-3-quinolyl)selanyl]-4-quinolyl]isothiourea CAS Name: carbamimidothioic acid [3-[[4-(carbamimidoylthio)-3-quinolinyl]seleno]-4-quinolinyl] ester IUPAC Name: [3-(4-carbamimidoylsulfanylquinolin-3-yl)selanylquinolin-4-yl] carbamimidothioate Traditional Name: 2-[3-[[4-(amidinothio)-3-quinolyl]seleno]-4-quinolyl]isothiourea Formula: C20H16N6S2Se MolecularWeight: 483.47124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C=N2)[Se]C3=C(C4=CC=CC=C4N=C3)SC(=N)N)SC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C=N2)[Se]C3=C(C4=CC=CC=C4N=C3)SC(=N)N)SC(=N)N

InChI

InChI=1S/C20H16N6S2Se/c21-19(22)27-17-11-5-1-3-7-13(11)25-9-15(17)29-16-10-26-14-8-4-2-6-12(14)18(16)28-20(23)24/h1-10H,(H3,21,22)(H3,23,24)