3-[2-(2-carbamothioylhydrazinyl)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-(2-carbamothioylhydrazinyl)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[2-(2-carbamothioylhydrazino)-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-(carbamothioylhydrazo)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(2-carbamothioylhydrazinyl)-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-keto-2-(N'-thiocarbamoylhydrazino)ethyl]-1-methyl-indole-2-carboxylic acid Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NNC(=S)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NNC(=S)N

InChI

InChI=1S/C13H14N4O3S/c1-17-9-5-3-2-4-7(9)8(11(17)12(19)20)6-10(18)15-16-13(14)21/h2-5H,6H2,1H3,(H,15,18)(H,19,20)(H3,14,16,21)