5-[4-(4-chlorophenyl)-2-phenyl-2-(prop-2-ynoxymethyl)butyl]-1H-1,2,4-triazole

Systemtic Name: 5-[4-(4-chlorophenyl)-2-phenyl-2-(prop-2-ynoxymethyl)butyl]-1H-1,2,4-triazole Openeye Name: 5-[4-(4-chlorophenyl)-2-phenyl-2-(prop-2-ynoxymethyl)butyl]-1H-1,2,4-triazole CAS Name: 5-[4-(4-chlorophenyl)-2-phenyl-2-(prop-2-ynoxymethyl)butyl]-1H-1,2,4-triazole IUPAC Name: 5-[4-(4-chlorophenyl)-2-phenyl-2-(prop-2-ynoxymethyl)butyl]-1H-1,2,4-triazole Traditional Name: 5-[4-(4-chlorophenyl)-2-phenyl-2-(propargyloxymethyl)butyl]-1H-1,2,4-triazole Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(CCC1=CC=C(C=C1)Cl)(CC2=NC=NN2)C3=CC=CC=C3

Isomeric SMILES

C#CCOCC(CCC1=CC=C(C=C1)Cl)(CC2=NC=NN2)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O/c1-2-14-27-16-22(15-21-24-17-25-26-21,19-6-4-3-5-7-19)13-12-18-8-10-20(23)11-9-18/h1,3-11,17H,12-16H2,(H,24,25,26)