1-cyanoethyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: 1-cyanoethyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: 1-cyanoethyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid 1-cyanoethyl ester Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=C(C=C1)N2C=NC=N2

Isomeric SMILES

CC(C#N)OC(=O)C1=CC=C(C=C1)N2C=NC=N2

InChI

InChI=1S/C12H10N4O2/c1-9(6-13)18-12(17)10-2-4-11(5-3-10)16-8-14-7-15-16/h2-5,7-9H,1H3