1-methyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]indole-2-carboxylic acid Openeye Name: 1-methyl-3-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]indole-2-carboxylic acid CAS Name: 1-methyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]indole-2-carboxylic acid Traditional Name: 1-methyl-3-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]indole-2-carboxylic acid Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC3=NC(=S)NN3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC3=NC(=S)NN3

InChI

InChI=1S/C13H12N4O2S/c1-17-9-5-3-2-4-7(9)8(11(17)12(18)19)6-10-14-13(20)16-15-10/h2-5H,6H2,1H3,(H,18,19)(H2,14,15,16,20)