ethanedioic acid; 3-[2-(1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1,3-thiazol-4-yl]-1H-indole-5-carbonitrile

Systemtic Name: ethanedioic acid; 3-[2-(1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1,3-thiazol-4-yl]-1H-indole-5-carbonitrile Openeye Name: 3-[2-(1-methyl-3,6-dihydro-2H-pyridin-6-yl)thiazol-4-yl]-1H-indole-5-carbonitrile; oxalic acid CAS Name: 3-[2-(1-methyl-3,6-dihydro-2H-pyridin-6-yl)-4-thiazolyl]-1H-indole-5-carbonitrile; oxalic acid IUPAC Name: 3-[2-(1-methyl-3,6-dihydro-2H-pyridin-6-yl)-1,3-thiazol-4-yl]-1H-indole-5-carbonitrile; oxalic acid Traditional Name: 3-[2-(1-methyl-3,6-dihydro-2H-pyridin-6-yl)thiazol-4-yl]-1H-indole-5-carbonitrile; oxalic acid Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=CC1C2=NC(=CS2)C3=CNC4=C3C=C(C=C4)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC=CC1C2=NC(=CS2)C3=CNC4=C3C=C(C=C4)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H16N4S.C2H2O4/c1-22-7-3-2-4-17(22)18-21-16(11-23-18)14-10-20-15-6-5-12(9-19)8-13(14)15;3-1(4)2(5)6/h2,4-6,8,10-11,17,20H,3,7H2,1H3;(H,3,4)(H,5,6)