(E)-but-2-enedioic acid; (2S)-1-(3-ethyl-6-methylsulfanyl-indazol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; (2S)-1-(3-ethyl-6-methylsulfanyl-indazol-1-yl)propan-2-amine Openeye Name: (2S)-1-(3-ethyl-6-methylsulfanyl-indazol-1-yl)propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; (2S)-1-[3-ethyl-6-(methylthio)-1-indazolyl]-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; (2S)-1-(3-ethyl-6-methylsulfanylindazol-1-yl)propan-2-amine Traditional Name: [(1S)-2-[3-ethyl-6-(methylthio)indazol-1-yl]-1-methyl-ethyl]amine; fumaric acid Formula: C17H23N3O4S MolecularWeight: 365.44722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)SC)CC(C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)SC)C[C@H](C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19N3S.C4H4O4/c1-4-12-11-6-5-10(17-3)7-13(11)16(15-12)8-9(2)14;5-3(6)1-2-4(7)8/h5-7,9H,4,8,14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t9-;/m0./s1