1-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrole-3-carboxylic acid

Systemtic Name: 1-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrole-3-carboxylic acid Openeye Name: 1-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrrole-3-carboxylic acid CAS Name: 1-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-pyrrolecarboxylic acid IUPAC Name: 1-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrole-3-carboxylic acid Traditional Name: 1-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrrole-3-carboxylic acid Formula: C9H10N4O2S MolecularWeight: 238.2663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C2=NNC(=S)N2C)C(=O)O

Isomeric SMILES

CN1C=C(C=C1C2=NNC(=S)N2C)C(=O)O

InChI

InChI=1S/C9H10N4O2S/c1-12-4-5(8(14)15)3-6(12)7-10-11-9(16)13(7)2/h3-4H,1-2H3,(H,11,16)(H,14,15)