4-[6-[bis(azanyl)methylideneamino]pyridin-2-yl]sulfanylbutanamide; (E)-but-2-enedioic acid

Systemtic Name: 4-[6-[bis(azanyl)methylideneamino]pyridin-2-yl]sulfanylbutanamide; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 4-[(6-guanidino-2-pyridyl)sulfanyl]butanamide CAS Name: (E)-2-butenedioic acid; 4-[[6-(diaminomethylideneamino)-2-pyridinyl]thio]butanamide IUPAC Name: (E)-but-2-enedioic acid; 4-[6-(diaminomethylideneamino)pyridin-2-yl]sulfanylbutanamide Traditional Name: fumaric acid; 4-[(6-guanidino-2-pyridyl)thio]butyramide Formula: C14H19N5O5S MolecularWeight: 369.39616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)SCCCC(=O)N)N=C(N)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=NC(=C1)SCCCC(=O)N)N=C(N)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H15N5OS.C4H4O4/c11-7(16)3-2-6-17-9-5-1-4-8(14-9)15-10(12)13;5-3(6)1-2-4(7)8/h1,4-5H,2-3,6H2,(H2,11,16)(H4,12,13,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+