ethanedioic acid; 3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole-5-carbonitrile

Systemtic Name: ethanedioic acid; 3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole-5-carbonitrile Openeye Name: 3-[(1-methyl-4-piperidyl)sulfanyl]-1H-indole-5-carbonitrile; oxalic acid CAS Name: 3-[(1-methyl-4-piperidinyl)thio]-1H-indole-5-carbonitrile; oxalic acid IUPAC Name: 3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole-5-carbonitrile; oxalic acid Traditional Name: 3-[(1-methyl-4-piperidyl)thio]-1H-indole-5-carbonitrile; oxalic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)SC2=CNC3=C2C=C(C=C3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)SC2=CNC3=C2C=C(C=C3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17N3S.C2H2O4/c1-18-6-4-12(5-7-18)19-15-10-17-14-3-2-11(9-16)8-13(14)15;3-1(4)2(5)6/h2-3,8,10,12,17H,4-7H2,1H3;(H,3,4)(H,5,6)