5-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]-1-butyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 5-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]-1-butyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-butyl-5-(3,5-dithioxo-1,2,4-triazolidin-4-yl)indoline-2-carboxylic acid CAS Name: 5-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]-1-butyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 5-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]-1-butyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-butyl-5-(3,5-dithioxo-1,2,4-triazolidin-4-yl)indoline-2-carboxylic acid Formula: C15H18N4O2S2 MolecularWeight: 350.45902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(CC2=C1C=CC(=C2)N3C(=S)NNC3=S)C(=O)O

Isomeric SMILES

CCCCN1C(CC2=C1C=CC(=C2)N3C(=S)NNC3=S)C(=O)O

InChI

InChI=1S/C15H18N4O2S2/c1-2-3-6-18-11-5-4-10(19-14(22)16-17-15(19)23)7-9(11)8-12(18)13(20)21/h4-5,7,12H,2-3,6,8H2,1H3,(H,16,22)(H,17,23)(H,20,21)