(3-carbamimidoylsulfanyl-2-cinnolin-4-yl-propyl) carbamimidothioate

Systemtic Name: (3-carbamimidoylsulfanyl-2-cinnolin-4-yl-propyl) carbamimidothioate Openeye Name: 2-(3-carbamimidoylsulfanyl-2-cinnolin-4-yl-propyl)isothiourea CAS Name: carbamimidothioic acid [3-(carbamimidoylthio)-2-(4-cinnolinyl)propyl] ester IUPAC Name: (3-carbamimidoylsulfanyl-2-cinnolin-4-ylpropyl) carbamimidothioate Traditional Name: 2-[3-(amidinothio)-2-cinnolin-4-yl-propyl]isothiourea Formula: C13H16N6S2 MolecularWeight: 320.43634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=N2)C(CSC(=N)N)CSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=N2)C(CSC(=N)N)CSC(=N)N

InChI

InChI=1S/C13H16N6S2/c14-12(15)20-6-8(7-21-13(16)17)10-5-18-19-11-4-2-1-3-9(10)11/h1-5,8H,6-7H2,(H3,14,15)(H3,16,17)