4-(4-bromanylphenoxy)-3-(2-phenylbutyl)-3H-1,2,4-triazole-2-carbonitrile

Systemtic Name: 4-(4-bromanylphenoxy)-3-(2-phenylbutyl)-3H-1,2,4-triazole-2-carbonitrile Openeye Name: 4-(4-bromophenoxy)-3-(2-phenylbutyl)-3H-1,2,4-triazole-2-carbonitrile CAS Name: 4-(4-bromophenoxy)-3-(2-phenylbutyl)-3H-1,2,4-triazole-2-carbonitrile IUPAC Name: 4-(4-bromophenoxy)-3-(2-phenylbutyl)-3H-1,2,4-triazole-2-carbonitrile Traditional Name: 4-(4-bromophenoxy)-3-(2-phenylbutyl)-3H-1,2,4-triazole-2-carbonitrile Formula: C19H19BrN4O MolecularWeight: 399.28436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1N(C=NN1C#N)OC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCC(CC1N(C=NN1C#N)OC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H19BrN4O/c1-2-15(16-6-4-3-5-7-16)12-19-23(13-21)22-14-24(19)25-18-10-8-17(20)9-11-18/h3-11,14-15,19H,2,12H2,1H3