(E)-but-2-enedioic acid; 1-(7-iodanylthieno[2,3-g]indazol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(7-iodanylthieno[2,3-g]indazol-1-yl)propan-2-amine Openeye Name: fumaric acid; 1-(7-iodothieno[2,3-g]indazol-1-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(7-iodo-1-thieno[2,3-g]indazolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(7-iodothieno[2,3-g]indazol-1-yl)propan-2-amine Traditional Name: fumaric acid; [2-(7-iodothien[2,3-g]indazol-1-yl)-1-methyl-ethyl]amine Formula: C16H16IN3O4S MolecularWeight: 473.28541

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C=CC3=C2C=C(S3)I)C=N1)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C2=C(C=CC3=C2C=C(S3)I)C=N1)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H12IN3S.C4H4O4/c1-7(14)6-16-12-8(5-15-16)2-3-10-9(12)4-11(13)17-10;5-3(6)1-2-4(7)8/h2-5,7H,6,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+