2-[[(E)-1-pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid

Systemtic Name: 2-[[(E)-1-pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid Openeye Name: 2-[[(E)-1-pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid CAS Name: 2-[[[(2E)-2-[1-(2-pyrazinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]pentanedioic acid IUPAC Name: 2-[[(E)-1-pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid Traditional Name: 2-[[(E)-1-pyrazin-2-ylethylideneamino]thiocarbamoylamino]glutaric acid Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC(CCC(=O)O)C(=O)O)C1=NC=CN=C1

Isomeric SMILES

C/C(=N\NC(=S)NC(CCC(=O)O)C(=O)O)/C1=NC=CN=C1

InChI

InChI=1S/C12H15N5O4S/c1-7(9-6-13-4-5-14-9)16-17-12(22)15-8(11(20)21)2-3-10(18)19/h4-6,8H,2-3H2,1H3,(H,18,19)(H,20,21)(H2,15,17,22)/b16-7+