(E)-but-2-enedioic acid; 2-[4-(2-isothiocyanatoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-(2-isothiocyanatoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine Openeye Name: fumaric acid; 2-[4-(2-isothiocyanatoethylsulfanylmethyl)thiazol-2-yl]guanidine CAS Name: (E)-2-butenedioic acid; 2-[4-[(2-isothiocyanatoethylthio)methyl]-2-thiazolyl]guanidine IUPAC Name: (E)-but-2-enedioic acid; 2-[4-(2-isothiocyanatoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine Traditional Name: fumaric acid; 2-[4-[(2-isothiocyanatoethylthio)methyl]thiazol-2-yl]guanidine Formula: C12H15N5O4S3 MolecularWeight: 389.4736

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)N=C(N)N)CSCCN=C=S.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=C(N=C(S1)N=C(N)N)CSCCN=C=S.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H11N5S3.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/h4H,1-3H2,(H4,9,10,12,13);1-2H,(H,5,6)(H,7,8)/b;2-1+