N-[2-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanamide; (E)-but-2-enedioic acid

Systemtic Name: N-[2-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanamide; (E)-but-2-enedioic acid Openeye Name: fumaric acid; N-[2-[(2-guanidinothiazol-4-yl)methylsulfanyl]ethyl]formamide CAS Name: (E)-2-butenedioic acid; N-[2-[[2-(diaminomethylideneamino)-4-thiazolyl]methylthio]ethyl]formamide IUPAC Name: (E)-but-2-enedioic acid; N-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]formamide Traditional Name: fumaric acid; N-[2-[(2-guanidinothiazol-4-yl)methylthio]ethyl]formamide Formula: C12H17N5O5S2 MolecularWeight: 375.42388

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)N=C(N)N)CSCCNC=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=C(N=C(S1)N=C(N)N)CSCCNC=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H13N5OS2.C4H4O4/c9-7(10)13-8-12-6(4-16-8)3-15-2-1-11-5-14;5-3(6)1-2-4(7)8/h4-5H,1-3H2,(H,11,14)(H4,9,10,12,13);1-2H,(H,5,6)(H,7,8)/b;2-1+