methyl 1-phenyl-5-propan-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 1-phenyl-5-propan-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: methyl 5-isopropyl-1-phenyl-1,2,4-triazole-3-carboxylate CAS Name: 1-phenyl-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-phenyl-5-propan-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 5-isopropyl-1-phenyl-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C13H15N3O2/c1-9(2)12-14-11(13(17)18-3)15-16(12)10-7-5-4-6-8-10/h4-9H,1-3H3