(E)-but-2-enedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-2-ylsulfanyl-1H-indole

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-2-ylsulfanyl-1H-indole Openeye Name: fumaric acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(2-pyridylsulfanyl)-1H-indole CAS Name: (E)-2-butenedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(2-pyridinylthio)-1H-indole IUPAC Name: (E)-but-2-enedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-2-ylsulfanyl-1H-indole Traditional Name: fumaric acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(2-pyridylthio)-1H-indole Formula: C23H23N3O4S MolecularWeight: 437.51142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=N4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H19N3S.C4H4O4/c1-22-10-7-14(8-11-22)17-13-21-18-6-5-15(12-16(17)18)23-19-4-2-3-9-20-19;5-3(6)1-2-4(7)8/h2-7,9,12-13,21H,8,10-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+