(phenylmethyl) 3,5-bis(1-chloroethyl)-1,2,4-triazole-1-carboxylate

Systemtic Name: (phenylmethyl) 3,5-bis(1-chloroethyl)-1,2,4-triazole-1-carboxylate Openeye Name: benzyl 3,5-bis(1-chloroethyl)-1,2,4-triazole-1-carboxylate CAS Name: 3,5-bis(1-chloroethyl)-1,2,4-triazole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,5-bis(1-chloroethyl)-1,2,4-triazole-1-carboxylate Traditional Name: 3,5-bis(1-chloroethyl)-1,2,4-triazole-1-carboxylic acid benzyl ester Formula: C14H15Cl2N3O2 MolecularWeight: 328.1938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN(C(=N1)C(C)Cl)C(=O)OCC2=CC=CC=C2)Cl

Isomeric SMILES

CC(C1=NN(C(=N1)C(C)Cl)C(=O)OCC2=CC=CC=C2)Cl

InChI

InChI=1S/C14H15Cl2N3O2/c1-9(15)12-17-13(10(2)16)19(18-12)14(20)21-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3