5-(2-chloranyl-4-hexyl-phenyl)-3-(2-chlorophenyl)-1-methyl-1,2,4-triazole

Systemtic Name: 5-(2-chloranyl-4-hexyl-phenyl)-3-(2-chlorophenyl)-1-methyl-1,2,4-triazole Openeye Name: 5-(2-chloro-4-hexyl-phenyl)-3-(2-chlorophenyl)-1-methyl-1,2,4-triazole CAS Name: 5-(2-chloro-4-hexylphenyl)-3-(2-chlorophenyl)-1-methyl-1,2,4-triazole IUPAC Name: 5-(2-chloro-4-hexylphenyl)-3-(2-chlorophenyl)-1-methyl-1,2,4-triazole Traditional Name: 5-(2-chloro-4-hexyl-phenyl)-3-(2-chlorophenyl)-1-methyl-1,2,4-triazole Formula: C21H23Cl2N3 MolecularWeight: 388.33342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)C2=NC(=NN2C)C3=CC=CC=C3Cl)Cl

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)C2=NC(=NN2C)C3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C21H23Cl2N3/c1-3-4-5-6-9-15-12-13-17(19(23)14-15)21-24-20(25-26(21)2)16-10-7-8-11-18(16)22/h7-8,10-14H,3-6,9H2,1-2H3