5-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanenitrile

Systemtic Name: 5-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanenitrile Openeye Name: 5-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanenitrile CAS Name: 5-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]pentanenitrile IUPAC Name: 5-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanenitrile Traditional Name: 5-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]valeronitrile Formula: C23H25BrN4S MolecularWeight: 469.4404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCCCCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCCCCC#N

InChI

InChI=1S/C23H25BrN4S/c1-23(2,3)18-9-7-17(8-10-18)21-26-27-22(29-16-6-4-5-15-25)28(21)20-13-11-19(24)12-14-20/h7-14H,4-6,16H2,1-3H3