1-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Formula: C13H10N4O2 MolecularWeight: 254.2441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C13H10N4O2/c14-7-8-2-1-3-10(6-8)17-12(9-4-5-9)15-11(16-17)13(18)19/h1-3,6,9H,4-5H2,(H,18,19)